SCHEMBL16636863

SCHEMBL16636863

Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cc(F)cc2F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 2/20 0.39
GRM5 P41594 3/20 0.37
ABCB1 P08183 2/20 0.37
HTR1F P30939 4/20 0.37
HTR1A P08908 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ABCC1 P33527 1/20 0.37
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
NPY5R Q15761 2/20 0.35
CHRM5 P08912 1/20 0.35
DRD5 P21918 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1E P28566 1/20 0.35
HTR7 P34969 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL16636428 0.92 IL2 (0.45) IL2NPC1PKMRAB9ASCN9A
SCHEMBL16636510 0.89 IL2 (0.37) IL2GRM5NPC1PKMRAB9A
SCHEMBL16636859 0.88 HTR1F (0.38) IL2GRM5ABCB1HTR1FHTR1A
SCHEMBL16637371 0.87 IL2 (0.43) IL2NPC1PKMRAB9ASCN9A
SCHEMBL16636481 0.87 IL2 (0.41) IL2HTR1FHTR1AHTR1BHTR2A
SCHEMBL16636531 0.86 IL2 (0.40) IL2GRM5ABCB1HTR1FHTR1A
SCHEMBL16636512 0.86 HTR1F (0.38) IL2ABCB1HTR1FHTR1AHTR1B
SCHEMBL16636948 0.85 ABCB1 (0.39) GRM5ABCB1ABCC1NPC1PKM
SCHEMBL16636887 0.84 NPC1 (0.37) GRM5ABCB1NPC1PKMRAB9A
SCHEMBL16636848 0.82 MGAM (0.37) IL2HTR1FNPC1RAB9AP2RX7

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 3716/4885GRM5 1117/4885ABCB1 1679/4885

“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.