Sugi Predict

Sugi Predict / Compounds / SCHEMBL3946385

SCHEMBL3946385

SCHEMBL3946385

Nc1ccc(Cl)cc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.53
▸ CYP2A6 P11509 4/20 0.50
▸ TDO2 P48775 1/20 0.47
▸ MKNK1 Q9BUB5 2/20 0.47
▸ MKNK2 Q9HBH9 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PSIP1 O75475 1/20 0.47
▸ AXL P30530 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KLK7 P49862 2/20 0.45
▸ CYP11B1 P15538 2/20 0.44

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
SCHEMBL7582709 0.82 CYP2A6 (0.53) CYP2A6MKNK1MKNK2CYP1A2CYP3A4
SCHEMBL145074 0.82 AXL (0.59) CYP2A6TDO2MKNK1MKNK2MEN1
SCHEMBL28115752 0.81 CYP2A6 (0.51) CYP2A6TDO2MEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6739740 0.81 AXL (0.58) CYP2A6TDO2MKNK1MKNK2MEN1
Hydrochloric Acid SCHEMBL7090061 0.81 AXL (0.58) CYP2A6TDO2MKNK1MKNK2MEN1
SCHEMBL6171120 0.79 CYP2A6 (0.51) CYP2A6TDO2MKNK1MKNK2MEN1
SCHEMBL16574106 0.79 CYP2A6 (0.51) IDO1CYP2A6MEN1CYP1A2CYP3A4
SCHEMBL13745220 0.79 TDO2 (0.54) CYP2A6TDO2MKNK1MKNK2MEN1
SCHEMBL1824521 0.77 ALDH1A1 (0.54) IDO1CYP2A6MEN1CYP1A2CYP3A4
SCHEMBL16982975 0.76 CYP2A6 (0.51) CYP2A6MEN1CYP1A2CYP3A4ALDH1A1

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
WO-2021039968-A1 2-AMINOQUINAZOLINONE DERIVATIVE 大日本住友製薬株式会社 2021-03-04 — — WO disclosed
CN-103121996-A Novel heteroaryl-substituted arylaminopyridine derivatives as mek inhibitors SERONO LAB 2013-05-29 — — CN disclosed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 — — US disclosed
CN-101426766-A Novel heteroaryl substituted arylaminopyridine derivatives as MEK inhibitors SERONO LAB (CH) 2009-05-06 — — CN disclosed
EP-2013180-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS Laboratoires Serono SA (CH) 2009-01-14 — — EP disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 — — US disclosed
WO-2007123936-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS LABORATOIRES SERONO SA (CH) 2007-11-01 — — 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-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors NRAS, MAP3K5, MAP3K1 IDO1 786/4885CYP2A6 1204/4885TDO2 3056/4885

“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.