SCHEMBL1942949

SCHEMBL1942949

Cc1c(OCCCN2CCC[C@H]2CO)cn2ncnc(Nc3cnc(NC(=O)c4cccc(F)c4)nc3)c12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.51
AURKB Q96GD4 2/20 0.44
MET P08581 5/20 0.44
MAPK14 Q16539 1/20 0.41
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
CSF1R P07333 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL1942556 0.92 AURKA (0.46) AURKAAURKBMETMAPK14CSF1R
SCHEMBL1942543 0.90 AURKA (0.51) AURKAMETCSF1RPDGFRBKIT
SCHEMBL29915092 0.90 AURKA (0.51) AURKAMETCSF1RPDGFRBKIT
SCHEMBL1940774 0.89 AURKA (0.51) AURKAAURKBMETMAPK14
SCHEMBL1942157 0.83 AURKA (0.51) AURKAAURKBMET
SCHEMBL1942218 0.81 AURKA (0.55) AURKAAURKBMET
SCHEMBL14624135 0.81 AURKA (0.45) AURKAAURKBMETMAPK14
SCHEMBL1733758 0.80 AURKA (0.62) AURKAAURKBMET
SCHEMBL1942051 0.80 AURKA (0.51) AURKAAURKBMETNTRK2PDGFRA
SCHEMBL1734506 0.79 AURKA (0.56) AURKAAURKBMETCSF1RPDGFRB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899346-B1 PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-15 EP claimed
US-7405213-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US claimed
US-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US claimed
EP-1899346-B1 PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-15 EP disclosed
US-7405213-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-7405213-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-7405213-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 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 (1 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-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith MAP3K20, PRKDC, MAP3K2 AURKA 499/4885AURKB 342/4885MET 1359/4885

“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.