SCHEMBL4044142

SCHEMBL4044142

Cc1cc(C)n2nc[nH]c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.49
PARP1 P09874 5/20 0.35
NR1H2 P55055 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PDPK1 O15530 1/20 0.32
CHEK1 O14757 1/20 0.32
PIM1 P11309 1/20 0.32
RPS6KA3 P51812 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PDE2A O00408 1/20 0.31
HPGD P15428 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
SCHEMBL12365567 0.82 BRD4 (0.39) BRD4PARP1NR1H2HTTALDH1A1
SCHEMBL12365544 0.82 BRD4 (0.39) BRD4PARP1NR1H2ALDH1A1CHEK1
SCHEMBL21190842 0.82 BRD4 (0.50) BRD4PARP1NR1H2HTTALDH1A1
SCHEMBL12365546 0.80 BRD4 (0.40) BRD4PARP1NR1H2ALDH1A1
SCHEMBL13695404 0.78 KDM4E (0.42) BRD4NR1H2ALDH1A1KDM4EGAA
SCHEMBL13695411 0.78 NR1H2 (0.38) BRD4NR1H2ALDH1A1KDM4EGAA
SCHEMBL13695403 0.78 BRD4 (0.36) BRD4PARP1NR1H2
SCHEMBL13695358 0.77 KDM4E (0.41) BRD4PARP1HTTALDH1A1KDM4E
SCHEMBL13695405 0.75 BRD4 (0.39) BRD4NR1H2HTTALDH1A1KDM4E
SCHEMBL13695402 0.75 BRD4 (0.37) BRD4NR1H2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948454-B1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENT & IND RES AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETI (IN) 2017-05-31 EP disclosed
US-9447105-B2 Triazine compounds and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-20 US disclosed
US-9447105-B2 Triazine compounds and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-20 US disclosed
US-9447105-B2 Triazine compounds and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-20 US disclosed
US-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-10 US disclosed
US-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-10 US disclosed
US-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-10 US disclosed
US-9006713-B2 Organic light-emitting display apparatus SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-14 US disclosed
WO-2014115171-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-31 WO disclosed
EP-1669071-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
US-7244733-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7112675-B2 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 US disclosed
EP-1669071-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-14 EP disclosed
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US disclosed
EP-1183033-A4 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2002-07-17 EP disclosed
EP-1183033-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-06 EP disclosed
WO-2000071129-A1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-30 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-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF TPH2, IDO2, INMT BRD4 984/4885PARP1 883/4885NR1H2 3623/4885
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 BRD4 729/4885PARP1 677/4885NR1H2 3177/4885
US-20060004007-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 BRD4 729/4885PARP1 677/4885NR1H2 3177/4885

“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.