SCHEMBL1942543

SCHEMBL1942543

Cc1c(OCCCN2CCC[C@H]2CO)cn2ncnc(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)c12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.51
MET P08581 7/20 0.40
EGFR P00533 3/20 0.40
ERBB2 P04626 2/20 0.40
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL29915092 1.00 AURKA (0.51) AURKAMETEGFRERBB2CSF1R
SCHEMBL1942157 0.93 AURKA (0.51) AURKAMETEGFRERBB2
SCHEMBL1942218 0.91 AURKA (0.55) AURKAMETEGFRERBB2
SCHEMBL1942949 0.90 AURKA (0.51) AURKAMETCSF1RPDGFRBKIT
SCHEMBL1942530 0.89 AURKA (0.56) AURKAMETEGFRERBB2
SCHEMBL1942556 0.88 AURKA (0.46) AURKAMETCSF1RPDGFRBKIT
SCHEMBL12562966 0.86 AURKA (0.52) AURKAMETEGFRERBB2
SCHEMBL1942214 0.85 AURKA (0.57) AURKAMETEGFRERBB2
SCHEMBL14624135 0.83 AURKA (0.45) AURKAMET
SCHEMBL1940774 0.78 AURKA (0.51) AURKAMETEGFR

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 499/4885MET 1359/4885EGFR 1582/4885

“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.