SCHEMBL940098

SCHEMBL940098

Cc1cnc2[nH]c(Nc3ccc(-c4c(C(=O)NCC(F)(F)F)cn5ncnc(N)c45)cc3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.40
RET P07949 1/20 0.35
AURKA O14965 3/20 0.34
AURKB Q96GD4 3/20 0.34
RIPK1 Q13546 10/20 0.34
KDR P35968 3/20 0.33

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
SCHEMBL938940 0.91 FGFR1 (0.35) FGFR1RETAURKAAURKBRIPK1
SCHEMBL938367 0.89 FGFR1 (0.36) FGFR1RETAURKAAURKBRIPK1
SCHEMBL939295 0.89 FGFR1 (0.41) FGFR1RETAURKAAURKBRIPK1
SCHEMBL939743 0.88 FGFR1 (0.38) FGFR1RETAURKAAURKBRIPK1
SCHEMBL941048 0.87 FGFR1 (0.39) FGFR1RETAURKAAURKBRIPK1
SCHEMBL940857 0.87 FGFR1 (0.35) FGFR1RETAURKAAURKBRIPK1
SCHEMBL939561 0.87 FGFR1 (0.38) FGFR1RETAURKAAURKBRIPK1
SCHEMBL938671 0.86 FGFR1 (0.38) FGFR1RETAURKAAURKBRIPK1
SCHEMBL938373 0.85 FGFR1 (0.37) FGFR1RETRIPK1KDR
SCHEMBL939961 0.85 FGFR1 (0.37) FGFR1RETAURKAAURKBRIPK1

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 776/4885RET 1389/4885AURKA 2/4885

“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.