SCHEMBL16636859

SCHEMBL16636859

CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cc(F)cc2F)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.38
IL2 P60568 2/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
ABCB1 P08183 2/20 0.36
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ABCC1 P33527 1/20 0.35
MAPK1 P28482 1/20 0.35
GRM5 P41594 2/20 0.34
CHRM5 P08912 1/20 0.34
DRD5 P21918 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1E P28566 1/20 0.34
HTR7 P34969 1/20 0.34
OPRK1 P41145 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL16636701 0.92 IL2 (0.42) IL2SCN5ASCN9AF10GAA
SCHEMBL16636932 0.90 SCN9A (0.36) IL2SCN5ASCN9AMAPK1GRM5
SCHEMBL16636863 0.88 IL2 (0.39) HTR1FIL2SCN9AABCB1HTR1A
SCHEMBL16636432 0.88 IL2 (0.39) HTR1FIL2SCN5ASCN9AHTR1A
SCHEMBL16636512 0.83 HTR1F (0.38) HTR1FIL2ABCB1HTR1AHTR1B
SCHEMBL16636784 0.83 CYP1A2 (0.37) HTR1FIL2DYRK1ADYRK1BMGAM
SCHEMBL16636716 0.82 IL2 (0.45) IL2
SCHEMBL16636946 0.81 IL2 (0.46) IL2SCN5ASCN9A
SCHEMBL16636428 0.80 IL2 (0.45) IL2SCN9AGAA
SCHEMBL16636954 0.79 MEN1 (0.37) IL2

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 HTR1F 2222/4885IL2 3716/4885SCN5A 191/4885

“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.