Sugi Predict

Sugi Predict / Compounds / SCHEMBL2012478

SCHEMBL2012478

SCHEMBL2012478

C=Cc1cc(C(=O)N(C)OC)c(-c2cccc(F)c2)c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.42
▸ MAP4K4 O95819 2/20 0.36
▸ DHODH Q02127 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.32

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
SCHEMBL2011974 0.86 KDM4E (0.46) MAP4K4DHODHKDM4ETOP2APDE4A
SCHEMBL2014820 0.85 TRPM8 (0.44) TRPM8MAP4K4DHODHKDM4ETACR1
SCHEMBL2011275 0.85 TOP2A (0.40) TRPM8MAP4K4KDM4ETOP2APDE4A
SCHEMBL2012836 0.84 KDM4E (0.41) MAP4K4DHODHKDM4EPDE4ARPS6KB1
SCHEMBL2011277 0.72 CDC7 (0.37) MAP4K4KDM4ETOP2APDE4ARPS6KB1
SCHEMBL2017011 0.71 TRPM8 (0.41) TRPM8DHODHKDM4E
SCHEMBL2012014 0.70 KDM4E (0.48) MAP4K4DHODHKDM4ETOP2ARPS6KB1
SCHEMBL2015215 0.70 L3MBTL1 (0.44) TRPM8MAP4K4KDM4ETOP2APDE4A
SCHEMBL2012706 0.69 TOP2A (0.42) TRPM8MAP4K4DHODHKDM4ETOP2A
SCHEMBL2015003 0.69 PIK3CD (0.46) KDM4ETOP2A

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 4741/4885MAP4K4 914/4885DHODH 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.