SCHEMBL938736

SCHEMBL938736

Nc1ncnn2cc(C(=O)NCC(F)(F)F)c(-c3ccc(Nc4nc5ccc(Oc6ccccc6)c(F)c5[nH]4)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 10/20 0.39
MAP2K1 Q02750 1/20 0.37
EGFR P00533 2/20 0.36
ERBB2 P04626 1/20 0.36
FGFR1 P11362 1/20 0.34
TNK2 Q07912 2/20 0.33
RPS6KB1 P23443 1/20 0.31
AURKB Q96GD4 3/20 0.31
AURKA O14965 2/20 0.31
KDR P35968 2/20 0.30
IKBKB O14920 1/20 0.30
PDPK1 O15530 1/20 0.30
NTRK1 P04629 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CDK1 P06493 1/20 0.30
LYN P07948 1/20 0.30
PIM1 P11309 1/20 0.30
MARK3 P27448 1/20 0.30
MAPK1 P28482 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
SCHEMBL938732 0.95 RIPK1 (0.35) RIPK1MAP2K1EGFRERBB2FGFR1
SCHEMBL940567 0.94 AURKB (0.36) RIPK1MAP2K1EGFRERBB2FGFR1
SCHEMBL940392 0.94 FGFR1 (0.37) RIPK1MAP2K1EGFRERBB2FGFR1
SCHEMBL940870 0.93 RIPK1 (0.35) RIPK1MAP2K1FGFR1AURKBAURKA
SCHEMBL939532 0.93 FGFR1 (0.37) RIPK1MAP2K1EGFRERBB2FGFR1
SCHEMBL939854 0.92 FGFR1 (0.36) RIPK1MAP2K1EGFRERBB2FGFR1
SCHEMBL941500 0.91 MAP2K1 (0.40) RIPK1MAP2K1EGFRERBB2FGFR1
SCHEMBL938738 0.90 MAP2K1 (0.38) RIPK1MAP2K1EGFRERBB2FGFR1
SCHEMBL940250 0.90 RIPK1 (0.38) RIPK1MAP2K1EGFRERBB2FGFR1
SCHEMBL939325 0.90 MAP2K1 (0.37) RIPK1MAP2K1EGFRERBB2FGFR1

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 RIPK1 333/4885MAP2K1 1055/4885EGFR 1566/4885

“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.