Sugi Predict

Sugi Predict / Compounds / SCHEMBL2163437

SCHEMBL2163437

SCHEMBL2163437

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.44
▸ PIN1 Q13526 1/20 0.39
▸ DHODH Q02127 2/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ PTGER1 P34995 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PADI4 Q9UM07 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ BRD2 P25440 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ KMO O15229 1/20 0.37
▸ PTPN11 Q06124 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL2012012 0.90 PIN1 (0.49) PIN1DHODHADORA2APTGER1KMO
SCHEMBL2016547 0.86 SMN1; SMN2 (0.45) TRPM8DHODHCASP3
SCHEMBL2011675 0.85 TRPM8 (0.43) TRPM8PIN1ADORA2APTGER1KMO
SCHEMBL12632913 0.85 PTPN11 (0.43) TRPM8PIN1ADORA2APTGER1PTPN11
SCHEMBL2014923 0.82 TRPM8 (0.46) TRPM8PIN1ADORA2A
SCHEMBL2035653 0.82 TRPM8 (0.51) TRPM8PIN1CASP3PADI4PTGDR2
SCHEMBL2017407 0.74 ADORA2A (0.36) TRPM8ADORA2ACYP1A2PTGDR2
SCHEMBL2013193 0.73 ADORA2A (0.41) TRPM8ADORA2A
SCHEMBL29101901 0.72 ENPP1 (0.39) PIN1CASP3
SCHEMBL12125684 0.72 TAAR1 (0.48) ADORA2ACYP1A2

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 4741/4885PIN1 2184/4885DHODH 4416/4885

“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.