SCHEMBL1269495

SCHEMBL1269495

CC1(c2cc(Nc3nc(Cl)nc4cccn34)n[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
IGF1R P08069 6/20 0.36
KDR P35968 6/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PLK4 O00444 1/20 0.33
PAK4 O96013 1/20 0.33
RET P07949 1/20 0.31
KIT P10721 1/20 0.31
PDGFRA P16234 1/20 0.31
KCNH2 Q12809 1/20 0.31
AURKA O14965 1/20 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
SCHEMBL1269825 0.87 PLK4 (0.31) JAK2PLK4PAK4
SCHEMBL1268774 0.82 PAK4 (0.48) JAK2IGF1RKDRPLK4PAK4
SCHEMBL1269161 0.78 IGF1R (0.42) JAK2IGF1RKDRPLK4RET
SCHEMBL1269791 0.78 IGF1R (0.39) IGF1RPLK4PAK4
SCHEMBL2169069 0.78 GRK6 (0.39) IGF1RKDRPLK4PAK4AURKA
SCHEMBL1268810 0.77 IGF1R (0.44) IGF1RPAK4
SCHEMBL1269282 0.76 JAK2 (0.42) JAK2IGF1R
SCHEMBL1268589 0.76 IGF1R (0.53) JAK2IGF1RKDRRETKIT
SCHEMBL2186457 0.76 PLK4 (0.32) IGF1RPLK4PAK4
SCHEMBL1269891 0.76 IGF1R (0.54) JAK2IGF1RKDRRETKIT

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 13 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
CN-101511835-B Pyrrolotriazine kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-11-27 CN 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
CN-101511835-A Pyrrolotriazine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-08-19 CN 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
EP-2041138-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-01 EP disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO 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 JAK2 83/4885IGF1R 595/4885KDR 932/4885
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 JAK2 83/4885IGF1R 595/4885KDR 932/4885
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 JAK2 83/4885IGF1R 595/4885KDR 932/4885
US-20090239838-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 JAK2 83/4885IGF1R 595/4885KDR 932/4885

“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.