SCHEMBL16636685

SCHEMBL16636685

Cc1nn(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL2 P60568 12/20 0.48
STIM1 Q13586 1/20 0.47
ORAI1 Q96D31 1/20 0.47
ORAI2 Q96SN7 1/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
HTT P42858 1/20 0.37
NOD2 Q9HC29 1/20 0.37
SCN9A Q15858 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 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
SCHEMBL16636634 0.95 STIM1 (0.53) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL16636766 0.92 STIM1 (0.40) IL2STIM1ORAI1ORAI2SCN9A
SCHEMBL16636481 0.91 IL2 (0.41) IL2STIM1ORAI1ORAI2
SCHEMBL16636678 0.90 IL2 (0.42) IL2STIM1ORAI1ORAI2SCN9A
SCHEMBL16636692 0.90 SMN1; SMN2 (0.46) IL2STIM1ORAI1ORAI2KMT2A
SCHEMBL16636946 0.88 IL2 (0.46) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL16636428 0.88 IL2 (0.45) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL16636905 0.86 IL2 (0.42) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL16636612 0.85 IL2 (0.36) IL2STIM1ORAI1ORAI2MEN1
SCHEMBL16637371 0.84 IL2 (0.43) IL2STIM1ORAI1ORAI2MEN1

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 3716/4885STIM1 17/4885ORAI1 1/4885

“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.