SCHEMBL172275

SCHEMBL172275

CC(C)(C)CCC1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.40
CYP2D6 P10635 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
MLNR O43193 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 1/20 0.34
FYN P06241 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL11989575 0.94 CYP2D6 (0.41) PLGCYP2D6KMT2AMEN1ALDH1A1
SCHEMBL23396602 0.82 HRH3 (0.43) PLGCYP2D6KMT2AMEN1ALDH1A1
SCHEMBL21971956 0.82 CHRNB4 (0.32) CYP2D6KMT2AMEN1ALDH1A1LMNA
SCHEMBL5080972 0.78 CYP2D6 (0.34) CYP2D6KMT2AMEN1ALDH1A1LMNA
SCHEMBL13961615 0.78 CYP2D6 (0.43) CYP2D6KMT2AMEN1ALDH1A1LMNA
SCHEMBL12927011 0.77 FDPS (0.44) PLGCYP2D6KMT2AMEN1ALDH1A1
SCHEMBL11890315 0.77 FDPS (0.44) PLGCYP2D6KMT2AMEN1ALDH1A1
SCHEMBL13483933 0.77 FDPS (0.44) PLGCYP2D6KMT2AMEN1ALDH1A1
SCHEMBL20402836 0.76 CYP2D6 (0.38) CYP2D6KMT2AMEN1ALDH1A1LMNA
SCHEMBL28594438 0.75 FDPS (0.35) KMT2AMEN1LMNATP53FDPS

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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
US-10687533-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-06-23 US disclosed
US-20190090486-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-03-28 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2010-07-29 US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US 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 (9 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 PLG 3212/4885CYP2D6 340/4885KMT2A 1797/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 PLG 2423/4885CYP2D6 4573/4885KMT2A 1679/4885
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF AR, KLK3, BRDT PLG 4027/4885CYP2D6 2327/4885KMT2A 917/4885
US-20100189773-A1 5-CYANO-4- (PYRROLO [2,3] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP3K20 PLG 1791/4885CYP2D6 2882/4885KMT2A 2310/4885
US-10687533-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 PLG 3304/4885CYP2D6 120/4885KMT2A 4457/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 PLG 2572/4885CYP2D6 619/4885KMT2A 1300/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 PLG 4159/4885CYP2D6 3058/4885KMT2A 806/4885
US-20190090486-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 PLG 3304/4885CYP2D6 120/4885KMT2A 4457/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 PLG 3212/4885CYP2D6 340/4885KMT2A 1797/4885

“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.