SCHEMBL1269831

SCHEMBL1269831

CC(C)n1cnc(Nc2nc(N3CCC[C@@]3(C)C(=O)O)nc3cccn23)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
IGF1R P08069 7/20 0.36
PAK4 O96013 1/20 0.33
MDM2 Q00987 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNE2 O96020 2/20 0.30
CCNE1 P24864 2/20 0.30
CDK2 P24941 2/20 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
SCHEMBL4434817 1.00 JAK2 (0.39) JAK2IGF1RPAK4MDM2CDK5
SCHEMBL1269723 0.86 JAK2 (0.37) JAK2IGF1RPAK4CDK5CDK5R1
SCHEMBL1269511 0.84 IGF1R (0.47) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL1270105 0.80 IGF1R (0.42) JAK2IGF1RPAK4CCNE2CCNE1
SCHEMBL12314390 0.79 JAK2 (0.60) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL1268979 0.79 IGF1R (0.43) JAK2IGF1RPAK4
SCHEMBL1269161 0.78 IGF1R (0.42) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL1270111 0.78 IGF1R (0.49) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL1269403 0.78 IGF1R (0.49) JAK2IGF1RCCNE2CCNE1CDK2
SCHEMBL1270097 0.77 IGF1R (0.56) JAK2IGF1RCCNE2CCNE1CDK2

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 7 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 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 (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 JAK2 83/4885IGF1R 595/4885PAK4 300/4885
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 JAK2 83/4885IGF1R 595/4885PAK4 300/4885
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 JAK2 83/4885IGF1R 595/4885PAK4 300/4885

“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.