SCHEMBL783033

SCHEMBL783033

Cc1ccc([N+](=O)[O-])cc1Nc1cc(-c2cccnc2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.49
ABL1 P00519 8/20 0.47
BCR P11274 2/20 0.47
PRKCA P17252 2/20 0.47
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
ALDH1A1 P00352 1/20 0.46
RIPK2 O43353 1/20 0.45
RET P07949 1/20 0.45
KDR P35968 1/20 0.45
MAPK14 Q16539 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 2/20 0.43

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
SCHEMBL3554974 0.89 ALDH1A1 (0.48) MAPK10ABL1ALDH1A1GAA
SCHEMBL3562948 0.87 CYP1A2 (0.47) ABL1BCRPRKCAEGFRSRC
SCHEMBL4262443 0.84 ABL1 (0.55) ABL1BCRPRKCAEGFRSRC
SCHEMBL4264785 0.82 KARS1 (0.54) ABL1BCRPRKCAEGFRSRC
SCHEMBL4266541 0.82 ALDH1A1 (0.49) ABL1BCRPRKCAEGFRSRC
SCHEMBL4276994 0.82 ALDH1A1 (0.48) ABL1BCRPRKCAEGFRSRC
SCHEMBL29364396 0.81 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
SCHEMBL1550 0.81 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
Water SCHEMBL28827802 0.81 ABL1 (0.68) ABL1BCRPRKCAEGFRSRC
SCHEMBL2924553 0.80 ABL1 (0.64) MAPK10ABL1BCRPRKCARIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013035102-A1 PROCESSES FOR THE PREPARATION OF IMATINIB BASE AND INTERMEDIATES THEREOF NATCO PHARMA LIMITED (IN) 2013-03-14 WO claimed
EP-1833815-B1 A PROCESS FOR PREPARATION OF IMATINIB BASE INST FARMACEUTYCZNY (PL) 2010-09-15 EP claimed
US-20080194819-A1 Process For Preparation of Imatinib Base INSTYTUT FARMACEUTYCZNY (PL) 2008-08-14 US claimed
EP-1833815-A2 A PROCESS FOR PREPARATION OF IMATINIB BASE INSTYTUT FARMACEUTYCZNY (PL) 2007-09-19 EP claimed
WO-2006071130-A2 A PROCESS FOR PREPARATION OF IMATINIB BASE INSTYTUT FARMACEUTYCZNY (PL) 2006-07-06 WO claimed
EP-3299358-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2018-03-28 EP disclosed
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 EP disclosed
US-9095622-B2 Oligomer-protein tyrosine kinase inhibitor conjugates NEKTAR THERAPEUTICS (US) 2015-08-04 US disclosed
US-20150073006-A1 OLIGOMER-PROTEIN TYROSINE KINASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS 2015-03-12 US disclosed
US-8921371-B2 Oligomer-protein tyrosine kinase inhibitor conjugates NEKTAR THERAPEUTICS (US) 2014-12-30 US disclosed
US-20140080839-A1 OLIGOMER-PROTEIN TYROSINE KINASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2014-03-20 US disclosed
US-8530492-B2 Oligomer-protein tyrosine kinase inhibitor conjugates NEKTAR THERAPEUTICS (US) 2013-09-10 US disclosed
US-7494997-B2 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2009-02-24 US disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US disclosed
US-20080194819-A1 Process For Preparation of Imatinib Base INSTYTUT FARMACEUTYCZNY (PL) 2008-08-14 US disclosed
EP-1833815-A2 A PROCESS FOR PREPARATION OF IMATINIB BASE INSTYTUT FARMACEUTYCZNY (PL) 2007-09-19 EP disclosed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 EP disclosed
WO-2006071130-A2 A PROCESS FOR PREPARATION OF IMATINIB BASE INSTYTUT FARMACEUTYCZNY (PL) 2006-07-06 WO disclosed
US-20060014742-A1 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2006-01-19 US disclosed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 EP 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 (5 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-20060014742-A1 Amide derivative ABL1, ABL2, BCR MAPK10 441/4885ABL1 1/4885BCR 3/4885
US-20080194819-A1 Process For Preparation of Imatinib Base ABL1, ABL2, JAK2 MAPK10 734/4885ABL1 1/4885BCR 12/4885
US-20150073006-A1 OLIGOMER-PROTEIN TYROSINE KINASE INHIBITOR CONJUGATES PTK2B, ERBB2, FRK MAPK10 372/4885ABL1 30/4885BCR 323/4885
US-20140080839-A1 OLIGOMER-PROTEIN TYROSINE KINASE INHIBITOR CONJUGATES PTK2B, ERBB2, FRK MAPK10 372/4885ABL1 30/4885BCR 323/4885
US-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR MAPK10 453/4885ABL1 2/4885BCR 3/4885

“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.