SCHEMBL940461

SCHEMBL940461

CNC(=O)c1cc(Oc2ccc(N)c(N)c2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.62
BRAF P15056 12/20 0.56
RAF1 P04049 7/20 0.56
EPHX2 P34913 3/20 0.56
CSF1R P07333 2/20 0.51
PLK4 O00444 2/20 0.51
AURKA O14965 2/20 0.51
MAPK13 O15264 2/20 0.51
MAP4K4 O95819 2/20 0.51
ABL1 P00519 2/20 0.51
LCK P06239 2/20 0.51
FYN P06241 2/20 0.51
LYN P07948 2/20 0.51
RET P07949 2/20 0.51
SRC P12931 2/20 0.51
RPS6KB1 P23443 2/20 0.51
EPHA2 P29317 2/20 0.51
AXL P30530 2/20 0.51
FRK P42685 2/20 0.51
MAPK9 P45984 2/20 0.51

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
SCHEMBL12355381 0.89 KDR (0.59) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL618015 0.89 KDR (0.59) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL4371903 0.89 KDR (0.59) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL6387865 0.88 KDR (0.61) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL30078261 0.88 KDR (0.61) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL29396481 0.88 KDR (0.58) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL6385161 0.88 KDR (0.58) KDRBRAFRAF1EPHX2CSF1R
Hydrochloric Acid SCHEMBL621069 0.88 KDR (0.58) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL1219701 0.88 KDR (0.58) KDRBRAFRAF1EPHX2CSF1R
SCHEMBL619670 0.88 KDR (0.58) KDRBRAFRAF1EPHX2CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614330-B2 Substituted benz-azoles and methods of their use as inhibitors of RAF kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-12-24 US disclosed
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP disclosed
EP-1608369-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-06-26 EP disclosed
EP-2258365-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-05-29 EP disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-7893096-B2 For example, N-methyl-4-[(2-{[2-(1-methylethyl)phenyl]amino}-1 H-benzimidazol-5-yl)oxy]pyridine-2-carboxamide; administering the compounds alone or in combination with another agent for the treatment of cancer, infectious diseases and/or allergies/asthma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-02-22 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed
EP-2258365-A1 Use of organic compounds for immunopotentiation Novartis Vaccines and Diagnostics, Inc. (US) 2010-12-08 EP disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 WO disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 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 (6 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF KDR 1078/4885BRAF 1/4885RAF1 2/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF KDR 891/4885BRAF 1/4885RAF1 2/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF KDR 1078/4885BRAF 1/4885RAF1 2/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS KDR 83/4885BRAF 612/4885RAF1 1846/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 KDR 4021/4885BRAF 1513/4885RAF1 2839/4885
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 KDR 1946/4885BRAF 739/4885RAF1 484/4885

“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.