SCHEMBL16636502

SCHEMBL16636502

CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
HTT P42858 1/20 0.40
NOD2 Q9HC29 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
IL2 P60568 4/20 0.39
TP53 P04637 4/20 0.39
MAPT P10636 1/20 0.39
CRACR2A Q9BSW2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRPA1 O75762 2/20 0.37
TNF P01375 1/20 0.36
STIM1 Q13586 1/20 0.36

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
SCHEMBL16636784 0.93 CYP1A2 (0.37) RAB9ANPC1SMN1; SMN2IL2MAPT
SCHEMBL16636507 0.92 CYP1A2 (0.38) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL16636716 0.90 IL2 (0.45) JAK2JAK1TYK2HTTNOD2
SCHEMBL16637313 0.88 TP53 (0.42) JAK2JAK1TYK2HTTNOD2
SCHEMBL16636762 0.87 ADORA2A (0.36) RAB9ANPC1CYP2C9CYP2C19MEN1
SCHEMBL16636743 0.85 IL2 (0.44) JAK2JAK1TYK2HTTNOD2
SCHEMBL16636792 0.85 CRACR2A (0.42) JAK2JAK1TYK2HTTNOD2
SCHEMBL16637004 0.84 IL2 (0.39) JAK2JAK1TYK2HTTNOD2
SCHEMBL16637041 0.84 IL2 (0.42) JAK2JAK1TYK2HTTNOD2
SCHEMBL16636498 0.83 CRACR2A (0.47) JAK2JAK1TYK2HTTNOD2

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 7 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-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
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
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 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 JAK2 2969/4885JAK1 4522/4885TYK2 4597/4885

“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.