SCHEMBL4449025

SCHEMBL4449025

COc1cc2ncc(C#N)c(Nc3ccc(-n4ccnc4)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.63
ERBB2 P04626 10/20 0.63
SRC P12931 6/20 0.56
IGF1R P08069 1/20 0.52
STK4 Q13043 1/20 0.48
MAP2K1 Q02750 2/20 0.48

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
SCHEMBL7001573 0.87 EGFR (0.55) EGFRERBB2SRCIGF1RSTK4
SCHEMBL4447081 0.86 EGFR (0.65) EGFRERBB2SRCIGF1RMAP2K1
SCHEMBL1894166 0.83 EGFR (0.78) EGFRERBB2SRC
SCHEMBL2204809 0.80 IGF1R (0.81) EGFRERBB2IGF1RMAP2K1
SCHEMBL6992590 0.80 EGFR (0.55) EGFRERBB2SRCIGF1RSTK4
SCHEMBL2204020 0.79 EGFR (0.65) EGFRERBB2SRCSTK4MAP2K1
SCHEMBL4454659 0.79 SRC (0.55) EGFRERBB2SRCIGF1RSTK4
SCHEMBL2200815 0.78 EGFR (0.66) EGFRERBB2SRCSTK4MAP2K1
SCHEMBL4447066 0.78 EGFR (0.76) EGFRERBB2SRCIGF1RMAP2K1
SCHEMBL2204296 0.78 MAP2K1 (0.64) EGFRERBB2SRCIGF1RMAP2K1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ORION CORPORATION 2003-12-04 US claimed
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists OY JUVANTIA PHARMA LTD. (FI) 2001-11-29 US claimed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 US claimed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer WYETH (US) 2009-12-31 US disclosed
US-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ORION CORPORATION 2003-12-04 US disclosed
US-6593324-B2 P-aminoanilino- derivatives ORION CORPORATION (FI) 2003-07-15 US disclosed
EP-1263733-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION FARMOS (FI) 2002-12-11 EP disclosed
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists OY JUVANTIA PHARMA LTD. (FI) 2001-11-29 US disclosed
WO-2001064645-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION (FI) 2001-09-07 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-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 EGFR 4698/4885ERBB2 2413/4885SRC 3474/4885
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 EGFR 20/4885ERBB2 8/4885SRC 9/4885
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 EGFR 4698/4885ERBB2 2413/4885SRC 3474/4885

“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.