Sugi Predict

Sugi Predict / Compounds / SCHEMBL2062219

SCHEMBL2062219

SCHEMBL2062219

N#C/C=C/c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 3/20 0.65
▸ FBP1 P09467 2/20 0.63
▸ VCP P55072 1/20 0.63
▸ CYP19A1 P11511 1/20 0.63
▸ MAPT P10636 5/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ MAOB P27338 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HSP90AA1 P07900 2/20 0.51
▸ MITF O75030 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HIF1A Q16665 1/20 0.50

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
SCHEMBL100241 1.00 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL29453878 1.00 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL100242 1.00 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1MAPT
Benzene SCHEMBL28683414 0.98 NFE2L2 (0.68) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL1819754 0.85 NFE2L2 (0.67) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL5804307 0.85 NFE2L2 (0.67) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL15498134 0.84 NFE2L2 (0.89) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11301074 0.80 CYP19A1 (0.93) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL11301072 0.80 CYP19A1 (0.93) NFE2L2FBP1VCPCYP19A1MAPT
SCHEMBL3130064 0.79 APP (0.60) FBP1CYP19A1MAPTALDH1A1RAB9A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 — — EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 — — EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 — — EP disclosed
CN-102481285-B Use of derivatives of indole for the treatment of cancer CENTRE NAT RECH SCIENT 2013-11-13 — — CN disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 — — US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 — — US disclosed
CN-102481285-A Use of derivatives of indole for the treatment of cancer CENTRE NAT RECH SCIENT 2012-05-30 — — CN disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 — — US disclosed
US-20100261760-A1 EP2 Receptor Agonists ASTERAND UK LIMITED (GB) 2010-10-14 — — US disclosed
US-7803841-B2 EP2 receptor agonists ASTERAND UK LIMITED (GB) 2010-09-28 — — US disclosed
EP-1170288-B1 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2004-08-11 — — EP disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 — — US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 — — EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 — — US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 — — US disclosed
US-20020025965-A1 Antiserotonine agents ADIR ET COMPAGNIE (FR) 2002-02-28 — — US disclosed
EP-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 — — EP disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 — — EP disclosed
US-4010151-A Water insoluble mono azo and disazo dyes containing cinnamonitrile group PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-03-01 — — US disclosed
US-4008213-A WATER INSOLUBLE UGINE KUHLMANN (FR) 1977-02-15 — — US 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 (4 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-20020025965-A1 Antiserotonine agents HTR2C, HTR3C, HTR3A NFE2L2 1426/4885FBP1 4712/4885VCP 4743/4885
US-20100261760-A1 EP2 Receptor Agonists PTGER2, PTGER1, TBXA2R NFE2L2 676/4885FBP1 3286/4885VCP 2266/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET NFE2L2 2224/4885FBP1 2541/4885VCP 4143/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 NFE2L2 1646/4885FBP1 1885/4885VCP 3862/4885

“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.