SCHEMBL1269378

SCHEMBL1269378

C[C@@]1(C(=O)O)CCCN1c1nc(Nc2ncc(C#N)s2)n2cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.40
IGF1R P08069 2/20 0.36
DDR1 Q08345 1/20 0.36
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 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
SCHEMBL1269512 0.86 IGF1R (0.54) KDRIGF1RDDR1
SCHEMBL12314539 0.79 IGF1R (0.57) KDRIGF1RDDR1
SCHEMBL4434817 0.75 JAK2 (0.39) IGF1R
SCHEMBL1269831 0.75 JAK2 (0.39) IGF1R
SCHEMBL1269161 0.75 IGF1R (0.42) KDRIGF1RDDR1
SCHEMBL1270105 0.74 IGF1R (0.42) IGF1RDDR1
SCHEMBL1269146 0.73 PTGS1 (0.36) KDRIGF1R
SCHEMBL1269765 0.72 IGF1R (0.70) IGF1RDDR1
SCHEMBL1270111 0.72 IGF1R (0.49) IGF1RDDR1
SCHEMBL1269403 0.72 IGF1R (0.49) IGF1RDDR1

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
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-29 US claimed
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 US claimed
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
EP-2041138-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-01 EP disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO 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 KDR 932/4885IGF1R 595/4885DDR1 2083/4885
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 KDR 932/4885IGF1R 595/4885DDR1 2083/4885
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 KDR 932/4885IGF1R 595/4885DDR1 2083/4885
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 KDR 932/4885IGF1R 595/4885DDR1 2083/4885

“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.