SCHEMBL939532

SCHEMBL939532

Cc1cccc(Oc2ccc3nc(Nc4ccc(-c5c(C(=O)NCC(F)(F)F)cn6ncnc(N)c56)cc4)[nH]c3c2F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.37
RIPK1 Q13546 5/20 0.35
AURKB Q96GD4 5/20 0.35
AURKA O14965 4/20 0.35
MAP2K1 Q02750 1/20 0.33
KDR P35968 4/20 0.33
MET P08581 2/20 0.33
LCK P06239 2/20 0.33
TEK Q02763 1/20 0.33
EGFR P00533 2/20 0.32
ERBB2 P04626 1/20 0.32
TNK2 Q07912 1/20 0.32
IKBKB O14920 1/20 0.31
PDPK1 O15530 1/20 0.31
NTRK1 P04629 1/20 0.31
FYN P06241 1/20 0.31
CDK1 P06493 1/20 0.31
LYN P07948 1/20 0.31
PIM1 P11309 1/20 0.31
MARK3 P27448 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
SCHEMBL940567 0.94 AURKB (0.36) FGFR1RIPK1AURKBAURKAMAP2K1
SCHEMBL940392 0.93 FGFR1 (0.37) FGFR1RIPK1AURKBAURKAMAP2K1
SCHEMBL938736 0.93 RIPK1 (0.39) FGFR1RIPK1AURKBAURKAMAP2K1
SCHEMBL938732 0.90 RIPK1 (0.35) FGFR1RIPK1AURKBAURKAMAP2K1
SCHEMBL939854 0.90 FGFR1 (0.36) FGFR1RIPK1AURKBAURKAMAP2K1
SCHEMBL940870 0.89 RIPK1 (0.35) FGFR1RIPK1AURKBAURKAMAP2K1
SCHEMBL941500 0.85 MAP2K1 (0.40) FGFR1RIPK1MAP2K1METEGFR
SCHEMBL939961 0.84 FGFR1 (0.37) FGFR1RIPK1AURKBAURKAMAP2K1
SCHEMBL940250 0.84 RIPK1 (0.38) FGFR1RIPK1AURKAMAP2K1KDR
SCHEMBL938738 0.84 MAP2K1 (0.38) FGFR1RIPK1AURKAMAP2K1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP claimed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US claimed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US claimed
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed
EP-1957078-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2008-08-20 EP disclosed
WO-2007064932-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2007-06-07 WO 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-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 FGFR1 776/4885RIPK1 333/4885AURKB 4/4885

“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.