SCHEMBL14239588

SCHEMBL14239588

Fc1ccccc1CNc1ncc(-c2ccc(C(F)(F)F)cc2Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ LIMK1 P53667 5/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK14 Q16539 4/20 0.38
▸ GCGR P47871 2/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ VNN1 O95497 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38

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
SCHEMBL15003811 0.88 STIM1 (0.41) MEN1KMT2AMAPTLIMK1ALDH1A1
SCHEMBL14999203 0.85 LIMK1 (0.48) MEN1KMT2AL3MBTL1CYP1A2CYP2C9
SCHEMBL14999205 0.78 MAPT (0.46) MEN1KMT2AL3MBTL1CYP1A2CYP2C9
SCHEMBL14239589 0.76 CSNK2A2 (0.42) MEN1KMT2ACYP1A2MAPTLIMK1
SCHEMBL14239144 0.76 ESR2 (0.45) MEN1KMT2AL3MBTL1MAPTLIMK1
SCHEMBL14999202 0.73 TP53 (0.44) MEN1KMT2AMAPTLIMK1HPGD
SCHEMBL16526212 0.72 LIMK1 (0.69) LIMK1MAPK14
SCHEMBL14158766 0.72 STIM1 (0.52) ALDH1A1
SCHEMBL14240442 0.71 ALOX5AP (0.34) LIMK1MAPK14
SCHEMBL14225901 0.71 STIM1 (0.48) MEN1KMT2AL3MBTL1CYP1A2CYP2C9

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-20130143927-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-06-06 — — US disclosed
WO-2012170951-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-12-13 — — WO 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-20130143927-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885L3MBTL1 3943/4885

“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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