SCHEMBL2163776

SCHEMBL2163776

CC(=O)c1cc(Cl)c2ccccc2c1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
SCN9A Q15858 1/20 0.38
KCNH2 Q12809 1/20 0.38
CREBBP Q92793 1/20 0.38
FBP1 P09467 1/20 0.37
NT5E P21589 1/20 0.36
MAP2 P11137 1/20 0.36
LMNA P02545 1/20 0.36
GABRP O00591 1/20 0.36

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
SCHEMBL2015003 0.82 PIK3CD (0.46) KDM4EHTTMEN1MAPTKMT2A
SCHEMBL15621481 0.82 TRPM8 (0.40) HTTKMT2AALDH1A1TRPM8FABP3
SCHEMBL2017109 0.79 NLRP3 (0.43) TRPM8SCN9AFBP1
SCHEMBL2013729 0.78 TRPM8 (0.38) KDM4EMAPTKMT2AALDH1A1PKM
SCHEMBL9928695 0.78 TRPM8 (0.38) HTTKMT2AALDH1A1TRPM8FABP3
SCHEMBL18935627 0.76 RELA (0.38) HTTMEN1KMT2AALDH1A1TRPM8
SCHEMBL9928745 0.76 CSNK1E (0.41) TRPM8
SCHEMBL22048112 0.76 TRPM8 (0.36) HTTKMT2AALDH1A1TRPM8FABP3
SCHEMBL2011675 0.76 TRPM8 (0.43) KDM4EHTTALDH1A1TRPM8
SCHEMBL9928939 0.76 DHODH (0.36) KMT2AALDH1A1TRPM8FABP3FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 KDM4E 1058/4885HTT 2725/4885HPGD 2890/4885

“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.