SCHEMBL2011675

SCHEMBL2011675

CC(=O)c1nc(Cl)c2ccccc2c1-c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.43
PTPN11 Q06124 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
PIN1 Q13526 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
GRM5 P41594 1/20 0.37
ADORA2A P29274 1/20 0.37
PTGER1 P34995 1/20 0.37
KDR P35968 1/20 0.37
HPGDS O60760 1/20 0.36
KMO O15229 1/20 0.36
BBOX1 O75936 3/20 0.36
EGLN1 Q9GZT9 3/20 0.36
FTO Q9C0B1 2/20 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
SCHEMBL2163437 0.85 TRPM8 (0.44) TRPM8PTPN11PIN1ADORA2APTGER1
SCHEMBL12632913 0.84 PTPN11 (0.43) TRPM8PTPN11KDM4EPIN1ADORA2A
SCHEMBL2014923 0.81 TRPM8 (0.46) TRPM8KDM4EPIN1TLR7GRM5
SCHEMBL2163776 0.76 KDM4E (0.41) TRPM8KDM4EALDH1A1HTT
SCHEMBL2012012 0.76 PIN1 (0.49) PIN1ADORA2APTGER1KMO
SCHEMBL2011676 0.73 KDM4E (0.41) PTPN11KDM4EALDH1A1XBP1MAPK1
SCHEMBL2016547 0.72 SMN1; SMN2 (0.45) TRPM8KDM4EALDH1A1
SCHEMBL12125684 0.71 TAAR1 (0.48) ADORA2A
SCHEMBL2015310 0.70 EGLN1 (0.59) KDM4EALDH1A1HTTBBOX1EGLN1
SCHEMBL2035653 0.69 TRPM8 (0.51) TRPM8PIN1

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 8 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
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 TRPM8 4741/4885PTPN11 486/4885KDM4E 1058/4885

“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.