SCHEMBL939113

SCHEMBL939113

Nc1ncnn2cc(C(=O)NCC(F)(F)F)c(-c3ccc(Nc4nc5cc(Cl)c(F)cc5[nH]4)c(F)c3)c12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.36
TBK1 Q9UHD2 3/20 0.36
CSNK1E P49674 2/20 0.35
FGFR1 P11362 1/20 0.34
RIPK1 Q13546 4/20 0.33
RET P07949 1/20 0.33
CSNK1D P48730 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 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
SCHEMBL939208 0.92 TBK1 (0.37) PTGESTBK1FGFR1RIPK1RET
SCHEMBL940462 0.89 RIPK1 (0.36) TBK1FGFR1RIPK1RET
SCHEMBL940838 0.89 PTGES (0.36) PTGESTBK1CSNK1EFGFR1RIPK1
SCHEMBL940889 0.88 FGFR1 (0.36) TBK1FGFR1RIPK1RET
SCHEMBL939150 0.88 CSNK1E (0.35) PTGESTBK1CSNK1EFGFR1RIPK1
SCHEMBL939673 0.88 TBK1 (0.35) TBK1FGFR1RIPK1RET
SCHEMBL940266 0.86 PTGES (0.38) PTGESTBK1FGFR1RIPK1RET
SCHEMBL941400 0.86 TNK2 (0.36) FGFR1RIPK1
SCHEMBL940100 0.86 FGFR1 (0.35) FGFR1RIPK1RETEGFR
SCHEMBL941440 0.86 FGFR1 (0.35) FGFR1RIPK1RET

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 PTGES 3149/4885TBK1 436/4885CSNK1E 431/4885

“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.