SCHEMBL16636481

SCHEMBL16636481

Cc1nn(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cc(F)cc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 13/20 0.41
STIM1 Q13586 2/20 0.39
ORAI1 Q96D31 2/20 0.39
ORAI2 Q96SN7 1/20 0.39
HTR1F P30939 3/20 0.33
CHRM5 P08912 1/20 0.33
DRD5 P21918 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1E P28566 1/20 0.33
HTR7 P34969 1/20 0.33
OPRK1 P41145 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32

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
SCHEMBL16636685 0.91 IL2 (0.48) IL2STIM1ORAI1ORAI2
SCHEMBL16636432 0.88 IL2 (0.39) IL2STIM1ORAI1ORAI2HTR1F
SCHEMBL16636766 0.88 STIM1 (0.40) IL2STIM1ORAI1ORAI2CSNK1D
SCHEMBL16636863 0.87 IL2 (0.39) IL2HTR1FCHRM5DRD5HTR1D
SCHEMBL16636634 0.86 STIM1 (0.53) IL2STIM1ORAI1ORAI2
SCHEMBL16636678 0.86 IL2 (0.42) IL2STIM1ORAI1ORAI2
SCHEMBL16636775 0.86 IL2 (0.35) IL2STIM1ORAI1ORAI2HTR1F
SCHEMBL16636692 0.84 SMN1; SMN2 (0.46) IL2STIM1ORAI1ORAI2
SCHEMBL16636612 0.84 IL2 (0.36) IL2STIM1ORAI1ORAI2CSNK1D
SCHEMBL16636848 0.80 MGAM (0.37) IL2HTR1FP2RX7

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 3716/4885STIM1 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.