SCHEMBL16636954

SCHEMBL16636954

CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)ccc(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
IL2 P60568 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRAF P15056 6/20 0.36
TNF P01375 1/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
CDK1 P06493 5/20 0.35
CCNB1 P14635 5/20 0.35
CCNA2 P20248 5/20 0.35
CDK2 P24941 5/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KCNH2 Q12809 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
SCHEMBL16636716 0.92 IL2 (0.45) MEN1KMT2AIL2TNFSTIM1
SCHEMBL16636932 0.90 SCN9A (0.36) MEN1KMT2AIL2BRAFCDK1
SCHEMBL16636507 0.90 CYP1A2 (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL16636743 0.88 IL2 (0.44) MEN1KMT2AIL2CYP3A4CYP2C19
SCHEMBL16636680 0.88 IL2 (0.39) MEN1KMT2AIL2TNFSTIM1
SCHEMBL16636856 0.85 MAPT (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16636740 0.85 NPC1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16636906 0.84 IL2 (0.38) IL2BRAFSTIM1ORAI1
SCHEMBL16636701 0.82 IL2 (0.42) MEN1KMT2AIL2TNFSTIM1
SCHEMBL16636502 0.82 JAK2 (0.40) MEN1KMT2AIL2CYP1A2CYP3A4

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 4706/4885IL2 3716/4885

“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.