SCHEMBL16020535

SCHEMBL16020535

Cc1nc(C(F)(F)F)c(C(=O)Nc2cnc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)s1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.49
▸ ORAI1 Q96D31 3/20 0.49
▸ ORAI2 Q96SN7 1/20 0.49
▸ GAA P10253 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ IL2 P60568 4/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL16018184 0.88 STIM1 (0.52) STIM1ORAI1ORAI2SMN1; SMN2IL2
SCHEMBL16019783 0.81 GAA (0.48) STIM1ORAI1GAAKDM4EHTT
SCHEMBL14881567 0.80 STIM1 (0.46) STIM1ORAI1ORAI2GAAWDR5
SCHEMBL16020561 0.79 STIM1 (0.49) STIM1ORAI1ORAI2NTRK1ALDH1A1
SCHEMBL16018167 0.79 STIM1 (0.62) STIM1ORAI1ORAI2KDM4ESMN1; SMN2
SCHEMBL16010393 0.78 STIM1 (0.51) STIM1ORAI1ORAI2HTTSMN1; SMN2
SCHEMBL16018178 0.78 STIM1 (0.52) STIM1ORAI1ORAI2IL2
SCHEMBL16020543 0.77 STIM1 (0.54) STIM1ORAI1ORAI2ALDH1A1HDAC4
SCHEMBL16018169 0.77 STIM1 (0.53) STIM1ORAI1ORAI2GAAHTT
SCHEMBL16018234 0.77 STIM1 (0.51) STIM1ORAI1ORAI2GAASMN1; SMN2

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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