SCHEMBL13696264

SCHEMBL13696264

O=C(NC1CCCNC1)[C@@H]1CCCN1c1nc(Nc2cn(C3CC3)cn2)c2cccn2n1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.71
ACVR1 Q04771 11/20 0.62
CCNE2 O96020 2/20 0.51
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51

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
SCHEMBL13865570 1.00 IGF1R (0.71) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL12338128 1.00 IGF1R (0.71) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL14320155 0.91 IGF1R (0.70) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL12337586 0.91 IGF1R (0.70) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL12337769 0.90 IGF1R (0.72) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL12923420 0.88 IGF1R (0.69) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL13865558 0.88 IGF1R (0.69) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL12337959 0.88 IGF1R (0.69) IGF1RACVR1CCNE2CCNE1CDK2
SCHEMBL12337549 0.85 IGF1R (0.77) IGF1RCCNE2CCNE1CDK2
SCHEMBL14313629 0.85 IGF1R (0.77) IGF1RCCNE2CCNE1CDK2

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 4 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 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 (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-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885ACVR1 2717/4885CCNE2 1617/4885
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885ACVR1 2717/4885CCNE2 1617/4885
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885ACVR1 2717/4885CCNE2 1617/4885

“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.