SCHEMBL16020561

SCHEMBL16020561

Cc1nc(C(=O)Nc2cnc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)c(C(F)(F)F)o1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.49
▸ ORAI1 Q96D31 3/20 0.49
▸ ORAI2 Q96SN7 1/20 0.49
▸ DGAT1 O75907 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ BACE1 P56817 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ DDR1 Q08345 1/20 0.37
▸ IL2 P60568 2/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ FBP1 P09467 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
SCHEMBL16020570 0.91 STIM1 (0.59) STIM1ORAI1ORAI2DGAT1ALDH1A1
SCHEMBL14885578 0.88 STIM1 (0.52) STIM1ORAI1ORAI2BACE1IL2
SCHEMBL16020572 0.87 STIM1 (0.48) STIM1ORAI1ORAI2DGAT1ALDH1A1
SCHEMBL16018169 0.83 STIM1 (0.53) STIM1ORAI1ORAI2ALDH1A1IL2
SCHEMBL14885643 0.81 STIM1 (0.53) STIM1ORAI1ORAI2IL2
SCHEMBL16020543 0.81 STIM1 (0.54) STIM1ORAI1ORAI2ALDH1A1IL2
SCHEMBL16019793 0.81 DGAT1 (0.49) STIM1ORAI1DGAT1ALDH1A1
SCHEMBL14881443 0.80 STIM1 (0.46) STIM1ORAI1ORAI2DGAT1ALDH1A1
SCHEMBL14885568 0.79 STIM1 (0.55) STIM1ORAI1ORAI2IL2
SCHEMBL16020560 0.79 STIM1 (0.53) STIM1ORAI1ORAI2ALDH1A1IL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ORAI2 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.

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