SCHEMBL939604

SCHEMBL939604

COc1ccc2nc(Nc3ccc(-c4c(C(=O)NCC(F)(F)F)cn5ncnc(N)c45)cc3)[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.40
TBK1 Q9UHD2 1/20 0.34
RIPK1 Q13546 9/20 0.34
KDR P35968 3/20 0.33
RET P07949 1/20 0.33
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL939743 0.90 FGFR1 (0.38) FGFR1RIPK1KDRRET
SCHEMBL939140 0.90 MAP2K1 (0.38) FGFR1RIPK1KDRRETRPS6KB1
SCHEMBL941171 0.89 FGFR1 (0.35) FGFR1RIPK1KDRRET
SCHEMBL939395 0.89 FGFR1 (0.35) FGFR1RIPK1KDRRET
SCHEMBL938946 0.89 FGFR1 (0.36) FGFR1RIPK1KDR
SCHEMBL938648 0.88 FGFR1 (0.35) FGFR1RIPK1KDRRET
SCHEMBL938723 0.88 FGFR1 (0.36) FGFR1TBK1RIPK1KDRRET
SCHEMBL939561 0.88 FGFR1 (0.38) FGFR1RIPK1KDRRET
SCHEMBL939068 0.87 FGFR1 (0.40) FGFR1TBK1KDRRET
SCHEMBL941875 0.87 FGFR1 (0.35) FGFR1RIPK1KDRRET

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 6 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
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 776/4885TBK1 436/4885RIPK1 333/4885

“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.