SCHEMBL941472

SCHEMBL941472

Nc1ncnn2cc(C(=O)NCC(F)(F)F)c(-c3ccc(Nc4nc5ccc(OC(F)(F)F)cc5[nH]4)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.39
BRAF P15056 6/20 0.39
EGLN1 Q9GZT9 1/20 0.38
FGFR1 P11362 1/20 0.36
KDR P35968 4/20 0.35
RUNX1 Q01196 1/20 0.34
TBK1 Q9UHD2 2/20 0.34
ABL1 P00519 1/20 0.34
RET P07949 1/20 0.34
RIPK1 Q13546 1/20 0.34
KLKB1 P03952 1/20 0.33
MTOR P42345 1/20 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
SCHEMBL939068 0.93 FGFR1 (0.40) RAF1BRAFEGLN1FGFR1KDR
SCHEMBL940850 0.91 RAF1 (0.42) RAF1BRAFKDRRIPK1
SCHEMBL939958 0.91 RAF1 (0.42) RAF1BRAFKDRRIPK1
SCHEMBL939070 0.90 FGFR1 (0.39) RAF1BRAFFGFR1TBK1RET
SCHEMBL939309 0.90 AURKB (0.38) FGFR1KDRTBK1RETRIPK1
SCHEMBL939356 0.89 POLB (0.43) RAF1BRAFFGFR1KDRTBK1
SCHEMBL940272 0.89 MEN1 (0.43) RAF1BRAFEGLN1FGFR1TBK1
SCHEMBL940095 0.89 AURKB (0.40) RAF1BRAFEGLN1FGFR1KDR
SCHEMBL940043 0.89 PIK3CA (0.42) EGLN1FGFR1TBK1RETMTOR
SCHEMBL940283 0.88 FGFR1 (0.36) RAF1BRAFFGFR1TBK1RET

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 10 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-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2008-08-20 EP claimed
WO-2007064932-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2007-06-07 WO 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 RAF1 484/4885BRAF 739/4885EGLN1 2338/4885

“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.