SCHEMBL16637041

SCHEMBL16637041

Cc1cn(-c2nccs2)nc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 7/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
NOD2 Q9HC29 1/20 0.41
STIM1 Q13586 2/20 0.39
ORAI1 Q96D31 2/20 0.39
TNF P01375 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 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
SCHEMBL16637313 0.88 TP53 (0.42) IL2TP53MAPTHTTJAK2
SCHEMBL16637004 0.85 IL2 (0.39) IL2TP53MAPTHTTJAK2
SCHEMBL16636502 0.84 JAK2 (0.40) IL2TP53MAPTHTTJAK2
SCHEMBL16636792 0.83 CRACR2A (0.42) IL2TP53MAPTHTTJAK2
SCHEMBL16636498 0.81 CRACR2A (0.47) IL2TP53MAPTHTTJAK2
SCHEMBL16636744 0.81 IL2 (0.48) IL2TP53MAPTHTTJAK2
SCHEMBL16636848 0.80 MGAM (0.37) IL2TP53MAPTMEN1KMT2A
SCHEMBL18038398 0.80 BUB1 (0.39) TP53MAPTHTTJAK2JAK1
SCHEMBL29420780 0.80 BUB1 (0.39) TP53MAPTHTTJAK2JAK1
SCHEMBL16636671 0.80 MEN1 (0.37) TP53MAPTMEN1KMT2ALMNA

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 8 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
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 IL2 3716/4885TP53 2681/4885MAPT 1478/4885

“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.