SCHEMBL1269113

SCHEMBL1269113

Cn1cnc(Nc2nc(N3CCC[C@H]3C(=O)N[C@@H]3CCCNC3)nc3cccn23)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.49
ACVR1 Q04771 3/20 0.39
SYK P43405 2/20 0.36
GUCY1B2 O75343 1/20 0.36
GUCY1A2 P33402 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
FLT3 P36888 1/20 0.34
METTL3 Q86U44 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
NTRK1 P04629 2/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL1270284 0.91 IGF1R (0.48) IGF1RGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1269965 0.91 IGF1R (0.48) IGF1RGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1269974 0.90 IGF1R (0.48) IGF1RACVR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL1269781 0.85 IGF1R (0.52) IGF1RGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1764950 0.83 ACVR1 (0.45) ACVR1SYK
SCHEMBL1270240 0.83 IGF1R (0.55) IGF1RCCNE2CCNE1CDK2
SCHEMBL1269896 0.83 IGF1R (0.70) IGF1RCCNE2CCNE1CDK2
SCHEMBL1269381 0.83 IGF1R (0.70) IGF1RCCNE2CCNE1CDK2
SCHEMBL1269701 0.83 IGF1R (0.70) IGF1RCCNE2CCNE1CDK2
SCHEMBL1269749 0.83 IGF1R (0.70) 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 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 IGF1R 595/4885ACVR1 2717/4885SYK 144/4885
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885ACVR1 2717/4885SYK 144/4885
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885ACVR1 2717/4885SYK 144/4885

“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.