SCHEMBL10090149

SCHEMBL10090149

COCCOc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.52
CYP3A4 P08684 2/20 0.52
BRAF P15056 1/20 0.45
LTA4H P09960 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 4/20 0.42
STAT3 P40763 1/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL15627404 0.94 KDM4E (0.49) CYP2D6CYP3A4BRAFLTA4HSMN1; SMN2
SCHEMBL12568190 0.94 KDM4E (0.49) CYP2D6CYP3A4BRAFLTA4HSMN1; SMN2
SCHEMBL4807357 0.94 KDM4E (0.49) CYP2D6CYP3A4BRAFLTA4HSMN1; SMN2
SCHEMBL525095 0.88 CYP2D6 (0.56) CYP2D6CYP3A4LTA4HSMN1; SMN2LMNA
SCHEMBL8339774 0.83 MAPT (0.52) LTA4HKDM4ERAB9AMAPTRECQL
SCHEMBL12743776 0.80 CYP2D6 (0.59) CYP2D6CYP3A4LTA4HSMN1; SMN2LMNA
SCHEMBL11245903 0.79 CYP2D6 (0.64) CYP2D6CYP3A4LTA4HSMN1; SMN2LMNA
SCHEMBL7947076 0.77 CYP2D6 (0.81) CYP2D6CYP3A4LTA4HSMN1; SMN2LMNA
SCHEMBL22285824 0.77 MAOA (0.37) KDM4ETSHRRECQLMAOADYRK1A
SCHEMBL15223391 0.77 CCR1 (0.61) CYP2D6CYP1A2CYP2C19MAOADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501275-B It can be used as the compound of ATR kinase inhibitor Votex Pharmaceutical Co., Ltd. (US) 2019-11-22 CN disclosed
CN-107501274-B It can be used as the compound of ATR kinase inhibitor Votex Pharmaceutical Co., Ltd. (US) 2019-11-22 CN disclosed
CN-109608449-A Compound as type III receptor tyrosine kinase inhibitors 阵列生物制药公司 2019-04-12 CN disclosed
CN-105924437-B Compound as type III receptor tyrosine kinase inhibitors 阵列生物制药公司 2018-11-30 CN disclosed
EP-2542552-B1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-15 EP disclosed
US-9718820-B2 Substituted aza-bicyclic imidazole derivatives useful TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-01 US disclosed
CN-104066730-B Heterocyclic compounds and their use as type III receptor tyrosine kinase modulators 埃姆比特生物科学公司 2017-03-08 CN disclosed
US-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-10-20 US disclosed
US-9409915-B2 Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-08-09 US disclosed
CN-105189515-A Furopyridines as bromodomain inhibitors GLAXOSMITHKLINE IP NO 2 LTD 2015-12-23 CN disclosed
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-08 US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 US disclosed
US-7452951-B2 Multifunctional self-decontaminating surface coating THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-11-18 US disclosed
US-20080102281-A1 MULTIFUNCTIONAL SELF-DECONTAMINATING SURFACE COATING THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-05-01 US disclosed
US-7339015-B2 Multifunctional self-decontaminating surface coating THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-03-04 US disclosed
US-20070122438-A1 Multifunctional self-decontaminating surface coating THE GOVERNMENT OF THE UNITED STATES, AS RESPRESENTED BY THE SECRETARY OF THE NAVY 2007-05-31 US disclosed
EP-0074653-B1 NEW CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-26 EP disclosed
EP-0231475-A1 Process for preparing intermediate products and their use for preparing cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-08-12 EP disclosed
US-4521413-A Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-04 US disclosed
EP-0074653-A2 New cephem compounds, processes for their preparation, pharmaceutical compositions containing them and intermediate products for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-03-23 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 (4 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-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 CYP2D6 3292/4885CYP3A4 3186/4885BRAF 2287/4885
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS CYP2D6 3014/4885CYP3A4 4362/4885BRAF 594/4885
US-20070122438-A1 Multifunctional self-decontaminating surface coating YWHAZ, EPCAM, LBR CYP2D6 3645/4885CYP3A4 3092/4885BRAF 3585/4885
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 CYP2D6 3292/4885CYP3A4 3186/4885BRAF 2287/4885

“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.