SCHEMBL4437865

SCHEMBL4437865

Cc1[c]cc([N+](N)=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 2/20 0.31

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
SCHEMBL218653 0.80 HSD17B10 (0.52) ACHEHSD17B10CYP3A4ALDH1A1TDP1
SCHEMBL4414939 0.76
SCHEMBL4639631 0.76 GAA (0.31)
SCHEMBL3462831 0.75 HTT (0.33) TDP1
SCHEMBL20885 0.65
SCHEMBL7101528 0.64
SCHEMBL6811567 0.63
SCHEMBL351578 0.62 CA2 (0.52) ALDH1A1TDP1TSHR
SCHEMBL3113946 0.62 ACHE (0.32) ACHEHSD17B10TSHR
SCHEMBL193857 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 US disclosed
EP-2938614-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS OriBase Pharma (FR) 2015-11-04 EP disclosed
WO-2014102377-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2014-07-03 WO disclosed
US-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-19 US disclosed
US-8507498-B2 4, 6-disubstituted aminopyrimidine derivatives as inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-13 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
US-20060241149-A1 Chemical compounds ADAMS JERRY L 2006-10-26 US disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
EP-1581514-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-10-05 EP disclosed
WO-2004043379-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 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 (3 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-20130338147-A1 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES CDK2, CDK6, CDK5 ACHE 2162/4885HSD17B10 3954/4885CYP3A4 3448/4885
US-20060241149-A1 Chemical compounds CHKB, MAP3K20, MAP3K6 ACHE 677/4885HSD17B10 701/4885CYP3A4 1063/4885
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 ACHE 2589/4885HSD17B10 3652/4885CYP3A4 2859/4885

“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.