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Sugi Predict / Compounds / SCHEMBL2017109

SCHEMBL2017109

SCHEMBL2017109

CC(=O)c1cc(Cl)c2cn[nH]c2c1-c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 6/20 0.43
▸ SCN9A Q15858 1/20 0.38
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ XPO1 O14980 1/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ HAO2 Q9NYQ3 1/20 0.35
▸ DHODH Q02127 2/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ LTK P29376 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ CLK2 P49760 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
SCHEMBL2038476 0.88 MAP4K1 (0.34) NLRP3SCN9AMETAP2MAP4K1XPO1
SCHEMBL18817051 0.87 METAP2 (0.42) METAP2
SCHEMBL2163776 0.79 KDM4E (0.41) SCN9ATRPM8FBP1
SCHEMBL2036983 0.77 PIK3CD (0.41) NLRP3METAP2IDO1
SCHEMBL2017111 0.76 NLRP3 (0.41) NLRP3GSK3AGSK3BMETAP2IDO1
SCHEMBL2015003 0.75 PIK3CD (0.46) METAP2
SCHEMBL15621481 0.75 TRPM8 (0.40) SCN9ATRPM8DHODH
SCHEMBL18817007 0.73 HSP90AA1 (0.38) METAP2
SCHEMBL9928695 0.72 TRPM8 (0.38) SCN9ATRPM8DHODH
SCHEMBL2013729 0.72 TRPM8 (0.38) SCN9ATRPM8MAP4K4DHODH

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 NLRP3 135/4885SCN9A 3345/4885GSK3A 138/4885

“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.