SCHEMBL16636634

SCHEMBL16636634

Cc1cccc(F)c1C(=O)Nc1cnc(-c2cn(-c3nccs3)nc2C)cn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.53
ORAI1 Q96D31 2/20 0.53
ORAI2 Q96SN7 1/20 0.53
IL2 P60568 12/20 0.46
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SCN9A Q15858 2/20 0.35
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.95 IL2 (0.48) STIM1ORAI1ORAI2IL2KMT2A
SCHEMBL16636678 0.90 IL2 (0.42) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL16636766 0.89 STIM1 (0.40) STIM1ORAI1ORAI2IL2SCN9A
SCHEMBL16637371 0.89 IL2 (0.43) STIM1ORAI1ORAI2IL2KMT2A
SCHEMBL16636692 0.88 SMN1; SMN2 (0.46) STIM1ORAI1ORAI2IL2KMT2A
SCHEMBL16636481 0.86 IL2 (0.41) STIM1ORAI1ORAI2IL2
SCHEMBL16636946 0.84 IL2 (0.46) STIM1ORAI1ORAI2IL2KMT2A
SCHEMBL16636428 0.84 IL2 (0.45) STIM1ORAI1ORAI2IL2KMT2A
SCHEMBL16636688 0.84 IL2 (0.44) STIM1ORAI1IL2KMT2AMEN1
SCHEMBL16636612 0.83 IL2 (0.36) STIM1ORAI1ORAI2IL2KMT2A

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 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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.