SCHEMBL20076033

SCHEMBL20076033

Cc1nc2[nH]c(-c3ccccc3Cl)cc(=O)n2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HAVCR2 Q8TDQ0 6/20 0.44
PIM1 P11309 2/20 0.43
NPY5R Q15761 1/20 0.42
PIK3C3 Q8NEB9 4/20 0.38
KDM5B Q9UGL1 2/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CNR1 P21554 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL20076038 0.84 ADORA2A (0.47) HAVCR2NPY5RKDM5BKDM5AKDM4C
SCHEMBL20075849 0.81 ALDH1A1 (0.51) TP53KDM4EPOLBHAVCR2PIM1
SCHEMBL20076032 0.78 NPC1 (0.45) TP53KDM4EPOLBHAVCR2HSD17B10
SCHEMBL20076034 0.78 MEN1 (0.48) HAVCR2KDM5BMEN1NPC1RAB9A
SCHEMBL15660515 0.77 KDM4E (0.45) TP53KDM4EPOLBKDM5BKDM5A
SCHEMBL20076008 0.76 KDM4E (0.46) KDM4EPOLBHAVCR2NPY5RKDM5B
SCHEMBL20074292 0.76 MEN1 (0.47) TP53KDM4EPOLBPIM1PIK3C3
SCHEMBL20076009 0.73 ALDH1A1 (0.45) TP53KDM4ENPY5RHSD17B10MEN1
SCHEMBL20076012 0.73 KDM5B (0.39) KDM4EHAVCR2KDM5BHSD17B10ALDH1A1
SCHEMBL12953348 0.72 KDM4E (0.45) TP53KDM4EPOLBPIM1NPY5R

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 TP53 1245/4885KDM4E 11/4885POLB 2324/4885

“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.