Sugi Predict

Sugi Predict / Compounds / SCHEMBL2014923

SCHEMBL2014923

SCHEMBL2014923

CC(=O)c1nc(C#N)c2ccccc2c1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 4/20 0.46
▸ ADORA1 P30542 3/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ EGLN2 Q96KS0 3/20 0.38
▸ EGLN1 Q9GZT9 3/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ PIN1 Q13526 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ GRIA4 P48058 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35

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 0.82 TRPM8 (0.44) TRPM8ADORA2APIN1
SCHEMBL2011675 0.81 TRPM8 (0.43) TRPM8ADORA2AKDM4EEGLN1GRM5
SCHEMBL12632913 0.81 PTPN11 (0.43) TRPM8ADORA1ADORA2AKDM4EPIN1
SCHEMBL2165207 0.76 ADORA1 (0.41) TRPM8ADORA1ADORA2BADORA2AKDM4E
SCHEMBL2017065 0.73 TAAR1 (0.42) ADORA1ADORA2BADORA2AKDM4EHPGD
SCHEMBL2012012 0.73 PIN1 (0.49) ADORA2APIN1
SCHEMBL29152141 0.70 ADORA1 (0.50) ADORA1ADORA2BADORA2AKDM4EHPGD
SCHEMBL2016547 0.69 SMN1; SMN2 (0.45) TRPM8KDM4EHPGD
SCHEMBL12125684 0.68 TAAR1 (0.48) ADORA2AHPGD
SCHEMBL2163776 0.68 KDM4E (0.41) TRPM8KDM4EHPGDKCNH2

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 TRPM8 4741/4885ADORA1 2197/4885ADORA2B 2474/4885

“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.