SCHEMBL4029958

SCHEMBL4029958

c1ccc(Nc2nccc(-c3ccncc3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.72
PRKCA P17252 3/20 0.72
PRKCD Q05655 2/20 0.72
EGFR P00533 1/20 0.72
BCR P11274 3/20 0.69
SRC P12931 1/20 0.69
CAMK2D Q13557 4/20 0.67
PIK3C3 Q8NEB9 1/20 0.66
JAK2 O60674 2/20 0.62
JAK3 P52333 1/20 0.62
IKBKB O14920 3/20 0.59
MAPK10 P53779 2/20 0.59
MAPK8 P45983 2/20 0.59
CDK2 P24941 2/20 0.57
CHEK1 O14757 1/20 0.57
AURKA O14965 1/20 0.57
NPC1 O15118 1/20 0.57
PDPK1 O15530 1/20 0.57
CHEK2 O96017 1/20 0.57
PRKCG P05129 1/20 0.57

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
SCHEMBL7472770 0.92 ABL1 (0.67) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL1593016 0.91 PRKCD (0.79) ABL1PRKCAPRKCDEGFRBCR
Nitric Acid SCHEMBL10765825 0.89 ABL1 (0.68) ABL1PRKCAPRKCDEGFRBCR
Nitric Acid SCHEMBL10765821 0.89 ABL1 (0.68) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7470875 0.84 PLK1 (0.63) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7470313 0.84 ABL1 (0.58) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL7467852 0.84 PIK3CA (0.65) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL4903317 0.84 ABL1 (0.70) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL6262145 0.84 ABL1 (1.00) ABL1PRKCAPRKCDEGFRBCR
SCHEMBL3521444 0.83 CAMK2D (0.63) ABL1PRKCAPRKCDEGFRBCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-85103378-A Process for preparing a group of novel compounds, formulations containing these compounds and their use in therapy 1986-07-09 CN claimed
EP-0164204-A1 Novel pharmaceutically useful pyrimidines FISONS plc (GB) 1985-12-11 EP claimed
WO-2013120852-A1 INTERMEDIATES FOR A NOVEL PROCESS OF PREPARING IMATINIB AND RELATED TYROSINE KINASE INHIBITORS GRINDEKS, A JOINT STOCK COMPANY (LV) 2013-08-22 WO disclosed
US-8389442-B2 N-phenyl-′(4-pyridyl)-azinyl!amine derivatives as plant protection agents SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 US disclosed
EP-1613156-B1 N-PHENYL- \" (4-PYRIDYL)- AZINYL]AMINE DERIVATIVES AS PLANT PROTECTION AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2009-05-06 EP disclosed
CN-100374434-C Microbiocidal N-Phenyl-N-[4-pyridyl-pyrimidin-2-yl]-amine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2008-03-12 CN disclosed
CN-100374434-C Microbiocidal N-Phenyl-N-[4-pyridyl-pyrimidin-2-yl]-amine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2008-03-12 CN disclosed
US-7205301-B2 Microbiocidal N-phenyl-n-[4-(4-pyridyl)-2-pyrimidin-2-yl]-amine derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-04-17 US disclosed
US-7205301-B2 Microbiocidal N-phenyl-n-[4-(4-pyridyl)-2-pyrimidin-2-yl]-amine derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-04-17 US disclosed
US-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents SYNGENTA CROP PROTECTION, INC. 2007-02-08 US disclosed
EP-1471786-B1 MICROBIOCIDAL N-PHENYL-N- 4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL|-AMINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2006-12-27 EP disclosed
EP-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 EP disclosed
US-5728708-A ANTITUMOR AGENTS NOVARTIS CORPORATION (US) 1998-03-17 US disclosed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP disclosed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO disclosed
US-4876252-A ADMINISTERING ANTIASTHMATIC OR ANTIALLERGEN AMERICAN CYANAMID COMPANY (US) 1989-10-24 US disclosed
US-4788195-A TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1988-11-29 US disclosed
EP-0233461-A2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1987-08-26 EP disclosed
EP-0164204-A1 Novel pharmaceutically useful pyrimidines FISONS plc (GB) 1985-12-11 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 (1 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-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents CYP1A1, NAT1, AKR7A2 ABL1 717/4885PRKCA 2482/4885PRKCD 1669/4885

“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.