SCHEMBL940567

SCHEMBL940567

Nc1ncnn2cc(C(=O)NCC(F)(F)F)c(-c3ccc(Nc4nc5ccc(Oc6cccc(F)c6)c(F)c5[nH]4)cc3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 5/20 0.36
LCK P06239 2/20 0.36
KDR P35968 2/20 0.36
EGFR P00533 2/20 0.36
ERBB4 Q15303 2/20 0.36
IKBKB O14920 1/20 0.36
PDPK1 O15530 1/20 0.36
NTRK1 P04629 1/20 0.36
FYN P06241 1/20 0.36
CDK1 P06493 1/20 0.36
LYN P07948 1/20 0.36
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAPK1 P28482 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK9 P45984 1/20 0.36
CDK8 P49336 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
BLK P51451 1/20 0.36

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
SCHEMBL939532 0.94 FGFR1 (0.37) AURKBLCKKDREGFRERBB4
SCHEMBL938736 0.94 RIPK1 (0.39) AURKBLCKKDREGFRERBB4
SCHEMBL938732 0.92 RIPK1 (0.35) AURKBKDREGFRRIPK1AURKA
SCHEMBL940392 0.90 FGFR1 (0.37) AURKBKDREGFRRIPK1AURKA
SCHEMBL940870 0.90 RIPK1 (0.35) AURKBKDRRIPK1AURKAFGFR1
SCHEMBL939854 0.88 FGFR1 (0.36) AURKBKDREGFRRIPK1AURKA
SCHEMBL941500 0.85 MAP2K1 (0.40) EGFRRIPK1FGFR1METERBB2
SCHEMBL938738 0.84 MAP2K1 (0.38) LCKKDREGFRERBB4NTRK1
SCHEMBL940250 0.84 RIPK1 (0.38) LCKKDREGFRERBB4NTRK1
SCHEMBL941046 0.84 FGFR1 (0.42) AURKBLCKKDRRIPK1AURKA

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 AURKB 4/4885LCK 410/4885KDR 1946/4885

“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.