SCHEMBL16637004

SCHEMBL16637004

Cc1cccc(F)c1C(=O)Nc1ccc(-c2cn(-c3nccs3)nc2C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 7/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 2/20 0.38
TYK2 P29597 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
NOD2 Q9HC29 1/20 0.38
CYP3A4 P08684 1/20 0.37
ADORA2A P29274 1/20 0.37
CYP2C19 P33261 1/20 0.37
STIM1 Q13586 2/20 0.36
ORAI1 Q96D31 2/20 0.36
TNF P01375 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 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
SCHEMBL16637313 0.95 TP53 (0.42) IL2MAPTTP53HTTTYK2
SCHEMBL16636688 0.90 IL2 (0.44) IL2MAPTTP53HTTTYK2
SCHEMBL16636671 0.89 MEN1 (0.37) MAPTTP53LMNAHPGDMEN1
SCHEMBL16636848 0.88 MGAM (0.37) IL2MAPTTP53HPGDMEN1
SCHEMBL16636788 0.87 MEN1 (0.44) MAPTTP53HTTCYP3A4ADORA2A
SCHEMBL29420780 0.87 BUB1 (0.39) MAPTTP53HTTTYK2JAK2
SCHEMBL18038398 0.87 BUB1 (0.39) MAPTTP53HTTTYK2JAK2
SCHEMBL16637041 0.85 IL2 (0.42) IL2MAPTTP53HTTTYK2
SCHEMBL16636744 0.85 IL2 (0.48) IL2MAPTTP53HTTTYK2
SCHEMBL16636502 0.84 JAK2 (0.40) IL2MAPTTP53HTTTYK2

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

“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.