SCHEMBL1269743

SCHEMBL1269743

O=C(Nc1ccc(F)nc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)n2cccc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.71
CCNE2 O96020 7/20 0.55
CCNE1 P24864 7/20 0.55
CDK2 P24941 7/20 0.55
PLK4 O00444 1/20 0.50
AURKA O14965 1/20 0.50
DCLK1 O15075 1/20 0.50
MUSK O15146 1/20 0.50
NUAK1 O60285 1/20 0.50
JAK2 O60674 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
INSR P06213 1/20 0.50
LCK P06239 1/20 0.50
FES P07332 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
ABCB1 P08183 1/20 0.50
MET P08581 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL3934592 1.00 IGF1R (0.71) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL1269833 0.92 IGF1R (0.60) IGF1RCCNE2CCNE1CDK2
SCHEMBL15809879 0.89 IGF1R (0.57) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL1269162 0.88 IGF1R (0.69) IGF1RCCNE2CCNE1CDK2
SCHEMBL1269907 0.88 IGF1R (0.69) IGF1RCCNE2CCNE1CDK2
SCHEMBL4007361 0.88 IGF1R (0.59) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL1269957 0.88 IGF1R (0.59) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL1269450 0.88 IGF1R (0.59) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL1268996 0.88 IGF1R (0.59) IGF1RCCNE2CCNE1CDK2PLK4
SCHEMBL1269582 0.88 IGF1R (0.59) IGF1RCCNE2CCNE1CDK2PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041138-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-25 EP claimed
US-7534792-B2 e.g. 1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-methylpyrrolidine-2-carboxamide; tyrosine kinase inhibitor; anticarcinogenic, antiproliferative agent, neurodegenerative diseases; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 US claimed
US-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US claimed
EP-2041138-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-25 EP disclosed
US-8592579-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-26 US disclosed
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-29 US disclosed
US-8263765-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 US disclosed
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 US disclosed
US-7879855-B2 administering (S)-1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide, for the treatment of cancers of the colon, lung, ovary, and pancreas; anticarcinogenic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-01 US disclosed
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-24 US disclosed
US-7534792-B2 e.g. 1-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)pyrrolo[1,2-f][1,2,4]triazin-2-yl)-N-methylpyrrolidine-2-carboxamide; tyrosine kinase inhibitor; anticarcinogenic, antiproliferative agent, neurodegenerative diseases; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 US disclosed
US-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US 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 (4 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-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885CCNE2 1617/4885CCNE1 647/4885
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885CCNE2 1617/4885CCNE1 647/4885
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885CCNE2 1617/4885CCNE1 647/4885
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885CCNE2 1617/4885CCNE1 647/4885

“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.