SCHEMBL1270428

SCHEMBL1270428

CC(C)n1cnc(Nc2nc(N3C[C@@H](O)C[C@H]3C(=O)N[C@@H]3CCCNC3)nc3cccn23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.57
IRAK4 Q9NWZ3 2/20 0.35
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
JAK2 O60674 1/20 0.33
METTL3 Q86U44 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KDM5A P29375 1/20 0.31
PBK Q96KB5 1/20 0.31
LCK P06239 1/20 0.31
RET P07949 1/20 0.31
PDGFRB P09619 1/20 0.31
FLT3 P36888 1/20 0.31
CDK7 P50613 1/20 0.31
BLK P51451 1/20 0.31
IRAK1 P51617 1/20 0.31
CCNH P51946 1/20 0.31

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 0.89 IGF1R (0.48) IGF1RIRAK4GUCY1B2GUCY1A2GUCY1A1
SCHEMBL1270249 0.88 IGF1R (0.63) IGF1RGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1270154 0.88 IGF1R (0.73) IGF1RJAK2KDM5A
SCHEMBL4437756 0.88 IGF1R (0.63) IGF1RGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL1270424 0.86 IGF1R (0.61) IGF1RJAK2KDM5A
SCHEMBL14138321 0.84 IGF1R (0.79) IGF1RJAK2
SCHEMBL12314395 0.84 IGF1R (0.79) IGF1RJAK2
SCHEMBL13865589 0.84 IGF1R (0.79) IGF1RJAK2
SCHEMBL1269810 0.84 IGF1R (0.50) IGF1RJAK2KDM5A
SCHEMBL1269113 0.80 IGF1R (0.49) IGF1RIRAK4GUCY1B2GUCY1A2GUCY1A1

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
EP-2041138-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-25 EP disclosed
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
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 IGF1R 595/4885IRAK4 934/4885GUCY1B2 2893/4885
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885IRAK4 934/4885GUCY1B2 2893/4885
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885IRAK4 934/4885GUCY1B2 2893/4885
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 IGF1R 595/4885IRAK4 934/4885GUCY1B2 2893/4885

“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.