SCHEMBL14738559

SCHEMBL14738559

CCn1nc(I)c2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
MAT2A P31153 12/20 0.43
KDM4C Q9H3R0 1/20 0.42
MAPK8 P45983 1/20 0.42
ESR1 P03372 1/20 0.40
HTT P42858 1/20 0.36
PRMT5 O14744 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL14752235 0.81 ADORA2A (0.62) KMOADORA2AADORA2BMAT2AKDM4C
SCHEMBL21114112 0.80 ADORA2A (0.43) ADORA2AADORA2BESR1HTT
SCHEMBL30274181 0.80 ADORA2A (0.43) ADORA2AADORA2BESR1HTT
SCHEMBL17610151 0.80 KDM4C (0.45) KMOMAT2AKDM4CESR1
SCHEMBL9042400 0.78 MAPK8 (0.44) KMOADORA2AADORA2BMAT2AKDM4C
SCHEMBL17610157 0.78 KDM4C (0.46) KMOMAT2AKDM4C
SCHEMBL14737323 0.77 MAT2A (0.43) KMOADORA2AADORA2BMAT2AKDM4C
SCHEMBL16533911 0.77 MAT2A (0.47) MAT2AHTT
SCHEMBL15833034 0.75 ALDH1A1 (0.44) ADORA2AADORA2BMAPK8HTT
SCHEMBL5430910 0.75 TSHR (0.54) KMOMAT2AKDM4CMAPK8HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194387-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-07-31 EP disclosed
EP-3194387-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-07-31 EP disclosed
US-10231957-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-19 US disclosed
US-10231957-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-19 US disclosed
US-20180271843-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-09-27 US disclosed
US-10016401-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-10 US disclosed
US-10016401-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-10 US disclosed
US-10016401-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-10 US disclosed
US-20170326116-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-16 US disclosed
US-20170326116-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-16 US disclosed
WO-2016044138-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 WO disclosed
WO-2016044138-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 WO disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 (5 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-10016401-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A KMO 585/4885ADORA2A 4526/4885ADORA2B 4576/4885
US-20180271843-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A KMO 585/4885ADORA2A 4526/4885ADORA2B 4576/4885
US-10231957-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A KMO 585/4885ADORA2A 4526/4885ADORA2B 4576/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 KMO 720/4885ADORA2A 4443/4885ADORA2B 4664/4885
US-20170326116-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A KMO 585/4885ADORA2A 4526/4885ADORA2B 4576/4885

“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.