SCHEMBL4100623

SCHEMBL4100623

NC(=O)c1nn[nH]c2ccnc1-2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.34
ATRIP Q8WXE1 3/20 0.34
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BRAF P15056 2/20 0.31
LCK P06239 1/20 0.30
MAP2K3 P46734 1/20 0.30
MAP2K6 P52564 1/20 0.30
BTK Q06187 1/20 0.30
MAP3K19 Q56UN5 1/20 0.30
NEK10 Q6ZWH5 1/20 0.30

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
SCHEMBL6022428 0.84 HCAR2 (0.37) KDM4AKDM4BKDM5CKDM5B
SCHEMBL1299475 0.79 JMJD6 (0.30) KDM4AKDM4BKDM5CKDM5B
SCHEMBL29696567 0.74 GDA (0.39) CCNCCDK8KDM4AKDM4BKDM5C
SCHEMBL60386 0.72 KDM4A (0.33) ATRATRIPKDM4AKDM4BKDM5C
SCHEMBL1298647 0.72 KDM4A (0.33) KDM4AKDM4BKDM5CKDM5B
SCHEMBL2554279 0.71 PDPK1 (0.34)
SCHEMBL14485456 0.68 KDM4A (0.33) KDM4AKDM4BKDM5CKDM5B
SCHEMBL27510684 0.68 KDM4A (0.33) ATRATRIPKDM4AKDM4BKDM5C
SCHEMBL22273390 0.67 MAP2K3 (0.32) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL30808869 0.66 CCNC (0.55) CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590335-A4 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-08 EP claimed
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors CHEN BANG-CHI 2006-02-23 US claimed
EP-1590335-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-02 EP claimed
WO-2004072030-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO claimed
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-12 US claimed
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 US disclosed
EP-1503996-B1 ARYL KETONE PYRROLO-TRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
US-7314876-B2 Aryl ketone pyrrolo-triazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
EP-1503996-A4 ARYL KETONE PYRROLO-TRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-05-17 EP disclosed
US-7034151-B2 1,4-dihydro-4-oxo-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylates; novel approach to the formation of the bicyclic heterocyclic ring system BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-25 US disclosed
EP-1590335-A4 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-08 EP disclosed
EP-1363910-B1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
WO-2004072030-A2 PROCESS FOR PREPARING PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO disclosed
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-12 US disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
US-20030232831-A1 Aryl ketone pyrrolo-triazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 US disclosed
EP-1363910-A2 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
WO-2003091229-A1 ARYL KETONE PYRROLO-TRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-06 WO disclosed
US-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US disclosed
WO-2002040486-A2 METHODS OF TREATING p38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-23 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 (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-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors MAPK1, MAPK3, MAPK6 ATR 1175/4885ATRIP 3988/4885CCNC 1782/4885
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 ATR 1672/4885ATRIP 4089/4885CCNC 1773/4885
US-20030232831-A1 Aryl ketone pyrrolo-triazine compounds useful as kinase inhibitors MAPK1, MAPK3, MAPK15 ATR 360/4885ATRIP 2244/4885CCNC 744/4885
US-20040157846-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 ATR 487/4885ATRIP 877/4885CCNC 517/4885
US-20060041124-A1 Process for preparing pyrrolotriazine kinase inhibitors MAP3K15, MAP4K2, MAP3K5 ATR 487/4885ATRIP 877/4885CCNC 517/4885

“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.