SCHEMBL16637313

SCHEMBL16637313

Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.42
MAPT P10636 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
HTT P42858 1/20 0.42
NOD2 Q9HC29 1/20 0.42
IL2 P60568 7/20 0.41
TNF P01375 1/20 0.40
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CRACR2A Q9BSW2 2/20 0.39
LMNA P02545 1/20 0.38
MET P08581 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
SCHEMBL16637004 0.95 IL2 (0.39) TP53MAPTJAK2JAK1TYK2
SCHEMBL16636848 0.93 MGAM (0.37) TP53MAPTIL2MEN1KMT2A
SCHEMBL16636671 0.92 MEN1 (0.37) TP53MAPTMEN1KMT2ARAB9A
SCHEMBL18038398 0.92 BUB1 (0.39) TP53MAPTJAK2JAK1TYK2
SCHEMBL29420780 0.92 BUB1 (0.39) TP53MAPTJAK2JAK1TYK2
SCHEMBL16636788 0.90 MEN1 (0.44) TP53MAPTHTTMEN1KMT2A
SCHEMBL16636744 0.89 IL2 (0.48) TP53MAPTJAK2JAK1TYK2
SCHEMBL16636502 0.88 JAK2 (0.40) TP53MAPTJAK2JAK1TYK2
SCHEMBL16637041 0.88 IL2 (0.42) TP53MAPTJAK2JAK1TYK2
SCHEMBL16636792 0.87 CRACR2A (0.42) TP53MAPTJAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11752148-B2 Pyrazine-containing compound CALCIMEDICA, INC. (US) 2023-09-12 US disclosed
US-20230226058-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE KIDNEY INJURY AVENUE CAPITAL MANAGEMENT II, L.P. 2023-07-20 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-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
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 (3 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-11752148-B2 Pyrazine-containing compound NFATC1, IAPP, NLRP3 TP53 1801/4885MAPT 3453/4885JAK2 82/4885
US-20230226058-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE KIDNEY INJURY CAMKK2, CAMKK1, ATF1 TP53 4166/4885MAPT 4289/4885JAK2 2561/4885
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TP53 2681/4885MAPT 1478/4885JAK2 2969/4885

“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.