SCHEMBL16018223

SCHEMBL16018223

Cc1nc(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)c(C)o1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.51
▸ ORAI1 Q96D31 6/20 0.51
▸ SCN9A Q15858 1/20 0.42
▸ ORAI2 Q96SN7 1/20 0.42
▸ POLQ O75417 1/20 0.41
▸ ABL1 P00519 5/20 0.38
▸ IL2 P60568 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL14885575 0.90 STIM1 (0.49) STIM1ORAI1SCN9AORAI2POLQ
SCHEMBL16020572 0.88 STIM1 (0.48) STIM1ORAI1SCN9AORAI2POLQ
SCHEMBL14887339 0.88 BACE1 (0.44) STIM1ORAI1SCN9APOLQIL2
SCHEMBL16018189 0.87 STIM1 (0.52) STIM1ORAI1SCN9AORAI2POLQ
SCHEMBL14885578 0.86 STIM1 (0.52) STIM1ORAI1SCN9AORAI2POLQ
SCHEMBL16020533 0.84 STIM1 (0.52) STIM1ORAI1SCN9AORAI2POLQ
SCHEMBL14885688 0.82 STIM1 (0.52) STIM1ORAI1SCN9AORAI2POLQ
SCHEMBL16020546 0.82 STIM1 (0.52) STIM1ORAI1SCN9AORAI2POLQ
SCHEMBL16018235 0.82 STIM1 (0.53) STIM1ORAI1SCN9AORAI2POLQ
SCHEMBL16018165 0.81 STIM1 (0.53) STIM1ORAI1SCN9AORAI2POLQ

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-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — 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 (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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885SCN9A 235/4885

“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.

Send feedback