SCHEMBL16636671

SCHEMBL16636671

Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)ccc(F)c2F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
TTK P33981 2/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
BUB1 O43683 1/20 0.34
LMNA P02545 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL16637313 0.92 TP53 (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16637129 0.90 NR3C1 (0.36) KMT2ANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16636848 0.90 MGAM (0.37) MEN1KMT2ATTKPOLBNPC1
SCHEMBL16636680 0.90 IL2 (0.39) MEN1KMT2ACDK1CCNB1CCNA2
SCHEMBL16637004 0.89 IL2 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18038398 0.89 BUB1 (0.39) MEN1KMT2ATTKPOLBNPC1
SCHEMBL29420780 0.89 BUB1 (0.39) MEN1KMT2ATTKPOLBNPC1
SCHEMBL16636507 0.88 CYP1A2 (0.38) MEN1KMT2ACDK1CCNB1CCNA2
SCHEMBL16636760 0.86 CRACR2A (0.38) MEN1KMT2AHSD17B10GRM4BRAF
SCHEMBL23833354 0.85 ALDH1A1 (0.35) KMT2ANPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885CDK1 1887/4885

“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.