SCHEMBL84849

SCHEMBL84849

CCC(=O)NCCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 3/20 0.57
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.49
CYP2D6 P10635 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL84386 0.98 CA12 (0.55) ALDH1A1KDM4ECA12CA1CA2
Hydrochloric Acid SCHEMBL23722070 0.96 CA12 (0.53) ALDH1A1KDM4ECA12CA1CA2
Formic Acid SCHEMBL6608165 0.93 ALDH1A1 (0.51) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL5230823 0.89 SMN1; SMN2 (0.56) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6196093 0.87 SMN1; SMN2 (0.57) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL84807 0.85 ALDH1A1 (0.58) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL10109056 0.85 MEN1 (0.48) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL15985650 0.85 HDAC2 (0.51) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL14902204 0.83 NPC1 (0.58) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL84809 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ECA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206779-A9 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-08 US disclosed
US-20200199150-A1 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-25 US disclosed
WO-2019165229-A1 SMALL MOLECULES FOR INDUCING SELECTIVE PROTEIN DEGRADATION AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-29 WO disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
WO-2017044849-A1 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-03-16 WO disclosed
US-20150080538-A1 Polyoxazolines with Inert Terminating Groups, Polyoxazolines Prepared from Protected Initiating Groups and Related Compounds SERINA THERAPEUTICS (AL), INC. 2015-03-19 US disclosed
US-8288540-B2 2-heteroarylamino-pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2012-10-16 US disclosed
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP disclosed
EP-0212558-A2 A radiation sensitizer ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1987-03-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 ALDH1A1 208/4885KDM4E 2344/4885CA12 4076/4885
US-20210206779-A9 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF BRDT, BRD4, BRD3 ALDH1A1 4304/4885KDM4E 789/4885CA12 3743/4885
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885CA12 1969/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885CA12 1969/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 ALDH1A1 3704/4885KDM4E 4443/4885CA12 4330/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK ALDH1A1 3405/4885KDM4E 1585/4885CA12 4880/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885CA12 1969/4885
US-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 ALDH1A1 1563/4885KDM4E 320/4885CA12 2427/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885CA12 1969/4885
US-20200199150-A1 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF BRDT, BRD4, BRD3 ALDH1A1 4304/4885KDM4E 789/4885CA12 3743/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885CA12 1969/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ALDH1A1 1563/4885KDM4E 320/4885CA12 2427/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.