SCHEMBL20076034

SCHEMBL20076034

Cc1nc2[nH]c(-c3cccc(Cl)c3)cc(=O)n2n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
DHFR P00374 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
BRD4 O60885 1/20 0.42
HAVCR2 Q8TDQ0 1/20 0.41
PARP1 P09874 1/20 0.41
LDHA P00338 1/20 0.40
PIN1 Q13526 1/20 0.40
CDC7 O00311 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL20076032 0.85 NPC1 (0.45) MEN1NPC1RAB9AKMT2AHAVCR2
SCHEMBL20075849 0.85 ALDH1A1 (0.51) MEN1NPC1RAB9AKMT2AHAVCR2
SCHEMBL20076033 0.78 TP53 (0.47) MEN1NPC1RAB9AKMT2AHAVCR2
SCHEMBL20076009 0.77 ALDH1A1 (0.45) MEN1NPC1RAB9AKMT2ALDHA
SCHEMBL20074290 0.76 EGLN2 (0.48) MEN1NPC1RAB9AKMT2ADHFR
SCHEMBL17106449 0.76 CDC7 (0.61) ADORA3CDC7
SCHEMBL20076013 0.75 PIK3C3 (0.37) NPC1RAB9AADORA3HAVCR2KDM5B
SCHEMBL15660543 0.75 KDM4E (0.46) MEN1NPC1RAB9AKMT2AADORA3
SCHEMBL17106451 0.74 TSHR (0.41) NPC1RAB9A
SCHEMBL15661030 0.74 CDC7 (0.46) CDC7

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 MEN1 1763/4885NPC1 4054/4885RAB9A 3452/4885

“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.