SCHEMBL20076012

SCHEMBL20076012

Cc1nc2[nH]c(-c3ccn(C)n3)cc(=O)n2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.39
HAVCR2 Q8TDQ0 4/20 0.33
TGFBR1 P36897 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA2A P29274 2/20 0.32
KDM4E B2RXH2 2/20 0.32
JMJD6 Q6NYC1 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KEAP1 Q14145 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
XDH P47989 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL20076008 0.78 KDM4E (0.46) KDM5BHAVCR2HSD17B10KMT2AKDM4E
SCHEMBL20074184 0.78 KDM5B (0.39) KDM5BDDB1CRBNKMT2AJMJD6
SCHEMBL20075849 0.77 ALDH1A1 (0.51) HAVCR2HSD17B10KMT2AADORA2AKDM4E
SCHEMBL20076032 0.75 NPC1 (0.45) HAVCR2HSD17B10KMT2AKDM4EALDH1A1
SCHEMBL20076009 0.75 ALDH1A1 (0.45) HSD17B10KMT2AADORA2AKDM4EALDH1A1
SCHEMBL21681598 0.74 KDM4E (0.33) KDM5BHAVCR2TGFBR1HSD17B10KDM4E
SCHEMBL20588719 0.74 KDM4E (0.44) HAVCR2HSD17B10KMT2AKDM4EALDH1A1
SCHEMBL20076013 0.73 PIK3C3 (0.37) KDM5BHAVCR2HSD17B10KDM4EALDH1A1
SCHEMBL20076033 0.73 TP53 (0.47) KDM5BHAVCR2HSD17B10KMT2AKDM4E
SCHEMBL20076038 0.73 ADORA2A (0.47) KDM5BHAVCR2HSD17B10ADORA2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US claimed
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
WO-2018071282-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO 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 (1 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-20200048259-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C KDM5B 2/4885HAVCR2 4388/4885TGFBR1 762/4885

“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.