SCHEMBL940392

SCHEMBL940392

Cc1ccc(Oc2ccc3nc(Nc4ccc(-c5c(C(=O)NCC(F)(F)F)cn6ncnc(N)c56)cc4)[nH]c3c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.37
RIPK1 Q13546 7/20 0.35
MAP2K1 Q02750 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
KDR P35968 3/20 0.32
MET P08581 2/20 0.32
RAF1 P04049 1/20 0.30
BRAF P15056 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) FGFR1RIPK1MAP2K1EGFRERBB2
SCHEMBL938736 0.94 RIPK1 (0.39) FGFR1RIPK1MAP2K1EGFRERBB2
SCHEMBL939532 0.93 FGFR1 (0.37) FGFR1RIPK1MAP2K1EGFRERBB2
SCHEMBL939854 0.90 FGFR1 (0.36) FGFR1RIPK1MAP2K1EGFRERBB2
SCHEMBL940567 0.90 AURKB (0.36) FGFR1RIPK1MAP2K1EGFRERBB2
SCHEMBL940870 0.90 RIPK1 (0.35) FGFR1RIPK1MAP2K1AURKAAURKB
SCHEMBL941500 0.86 MAP2K1 (0.40) FGFR1RIPK1MAP2K1EGFRERBB2
SCHEMBL940250 0.85 RIPK1 (0.38) FGFR1RIPK1MAP2K1EGFRERBB2
SCHEMBL938738 0.85 MAP2K1 (0.38) FGFR1RIPK1MAP2K1EGFRERBB2
SCHEMBL938373 0.85 FGFR1 (0.37) FGFR1RIPK1KDR

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 4 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

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 333/4885MAP2K1 1055/4885

“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.