SCHEMBL22191925

SCHEMBL22191925

BC1(B)Oc2cc(C)c(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)cc2O1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.65
ORAI1 Q96D31 3/20 0.65
ORAI2 Q96SN7 1/20 0.65
IL2 P60568 14/20 0.57
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL12155938 0.91 STIM1 (0.68) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL1702182 0.91 STIM1 (0.77) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL18081993 0.87 STIM1 (0.84) STIM1ORAI1ORAI2IL2L3MBTL1
SCHEMBL12155896 0.87 STIM1 (0.60) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12155514 0.87 STIM1 (0.60) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL22191941 0.87 IL2 (0.58) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12241632 0.85 STIM1 (0.62) STIM1ORAI1ORAI2IL2
SCHEMBL12241624 0.85 STIM1 (0.62) STIM1ORAI1ORAI2IL2
SCHEMBL12241562 0.85 STIM1 (0.58) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL12241668 0.82 IL2 (0.63) STIM1ORAI1ORAI2IL2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 US 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 (2 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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20200317617-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.