SCHEMBL1269074

SCHEMBL1269074

CCn1cnc(Nc2nc(N3CCC[C@H]3C(=O)O)nc3cccn23)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 14/20 0.38
SYK P43405 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
IGF1R P08069 1/20 0.34

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
SCHEMBL1764950 0.88 ACVR1 (0.45) ACVR1SYKSMN1; SMN2
SCHEMBL1268818 0.88 ACVR1 (0.47) ACVR1SMN1; SMN2
SCHEMBL1268979 0.86 IGF1R (0.43) ACVR1SYKSMN1; SMN2IGF1R
SCHEMBL1269965 0.85 IGF1R (0.48) IGF1R
SCHEMBL12314365 0.80 ACVR1 (0.61) ACVR1IGF1R
SCHEMBL14320142 0.80 ACVR1 (0.61) ACVR1IGF1R
SCHEMBL1269220 0.78 IGF1R (0.37) ALDH1A1HPGDSMN1; SMN2IGF1R
SCHEMBL1270073 0.76 IGF1R (0.41) SYKIGF1R
SCHEMBL1269974 0.75 IGF1R (0.48) ACVR1IGF1R
SCHEMBL1268963 0.75 IGF1R (0.56) IGF1R

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 9 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
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 (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 ACVR1 2717/4885SYK 144/4885ALDH1A1 3049/4885
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 ACVR1 2717/4885SYK 144/4885ALDH1A1 3049/4885
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 ACVR1 2717/4885SYK 144/4885ALDH1A1 3049/4885
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 ACVR1 2717/4885SYK 144/4885ALDH1A1 3049/4885

“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.