SCHEMBL16020538

SCHEMBL16020538

Cc1cc2c(cc1-c1cnc(NC(=O)c3c4c(nn3C)CCCC4)cn1)OC(F)(F)O2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.47
▸ ORAI1 Q96D31 3/20 0.47
▸ ORAI2 Q96SN7 1/20 0.47
▸ IL2 P60568 12/20 0.40
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL16020537 0.91 STIM1 (0.56) STIM1ORAI1ORAI2IL2POLB
SCHEMBL16020536 0.88 STIM1 (0.48) STIM1ORAI1ORAI2IL2POLB
SCHEMBL16018242 0.84 STIM1 (0.47) STIM1ORAI1ORAI2IL2
SCHEMBL16010208 0.83 STIM1 (0.54) STIM1ORAI1ORAI2IL2MAPT
SCHEMBL16019812 0.82 MAPT (0.40) STIM1ORAI1IL2POLBMAPT
SCHEMBL14885579 0.81 STIM1 (0.47) STIM1ORAI1ORAI2POLBMAPT
SCHEMBL14881385 0.80 STIM1 (0.57) STIM1ORAI1ORAI2IL2MAPT
SCHEMBL16010393 0.80 STIM1 (0.51) STIM1ORAI1ORAI2IL2POLB
SCHEMBL16018154 0.78 STIM1 (0.54) STIM1ORAI1ORAI2IL2
SCHEMBL16018153 0.77 STIM1 (0.58) 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 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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