SCHEMBL4047710

SCHEMBL4047710

COc1c(NCCCCN2CCN(C)CC2)cn2ncnc(C3C(=O)Nc4ccccc43)c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.40
DRD2 P14416 5/20 0.34
HTR2A P28223 4/20 0.34
HTR6 P50406 4/20 0.34
ADRA1A P35348 3/20 0.34
DRD1 P21728 1/20 0.34
HTR2C P28335 1/20 0.34
HTR1A P08908 4/20 0.33
DRD3 P35462 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
CHEK1 O14757 1/20 0.32
FGFR1 P11362 2/20 0.32
SRC P12931 2/20 0.32

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
SCHEMBL4044133 0.92 CHEK1 (0.40) HTR7CHEK1FGFR1SRC
SCHEMBL5516119 0.77 KDR (0.48)
SCHEMBL4049223 0.77 KDR (0.49) DRD2
SCHEMBL4044556 0.76 PDE4A (0.41)
SCHEMBL4044576 0.76 PDE4A (0.39) CHEK1
SCHEMBL1462059 0.74 MET (0.37) HTR7DRD2DRD3
SCHEMBL14470113 0.74 ALDH1A1 (0.40)
SCHEMBL5514529 0.74 MAP2K1 (0.44) CHEK1
SCHEMBL1462051 0.74 KDR (0.45)
SCHEMBL4041795 0.72 PDE4A (0.34) CHEK1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183033-B1 PYRROLOTRIAZINE INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP claimed
US-6982265-B1 Pyrrolotriazine inhibitors of kinases BRISTOL MYERS SQUIBB COMPANY (US) 2006-01-03 US claimed
EP-1562949-B1 METHODS FOR THE PREPARATION OF PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-12-30 EP disclosed
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-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-7211666-B2 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 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-20050107462-A1 N-Cyclopropyl-4-[[5-[(methoxyamino)carbonyl]-2-methylphenyl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide; aminating with chloramine to produce a pyrrole with a Nitrogen nitrogen bond; reacting with formamide, cyclizing to form the pyrrolotriazine core; kinase inhibitors GODFREY JOLLIE D JR (US) 2005-05-19 US disclosed
US-6867300-B2 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-15 US disclosed
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds LEFTHERIS KATERINA (US) 2004-11-18 US disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
US-20030186982-A1 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-02 US 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
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 (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-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors MAPK1, MAPK3, MAPK6 HTR7 1677/4885DRD2 3831/4885HTR2A 2415/4885
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 HTR7 1685/4885DRD2 3900/4885HTR2A 2329/4885
US-20060128709-A1 Pyrrolotriazine inhibitors of kinases FGFR1, FGFR2, ERBB2 HTR7 1471/4885DRD2 3777/4885HTR2A 751/4885
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds MAPK1, MAPK6, MAPK3 HTR7 1264/4885DRD2 3286/4885HTR2A 1965/4885
US-20050107462-A1 N-Cyclopropyl-4-[[5-[(methoxyamino)carbonyl]-2-methylphenyl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide; aminating with chloramine to produce a pyrrole with a Nitrogen nitrogen bond; reacting with formamide, cyclizing to form the pyrrolotriazine core; kinase inhibitors CSNK2A1, CSNK1A1, NEK2 HTR7 1315/4885DRD2 641/4885HTR2A 898/4885
US-20030186982-A1 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors PRKD2, CSNK1A1, CSNK2A1 HTR7 1273/4885DRD2 994/4885HTR2A 1972/4885

“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.