SCHEMBL940096

SCHEMBL940096

Nc1ncnn2cc(C(=O)NCC(F)(F)F)c(-c3ccc(Nc4nc5cc6c(cc5[nH]4)OC(F)(F)O6)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 8/20 0.37
CSNK1G3 Q9Y6M4 2/20 0.37
FGFR1 P11362 1/20 0.35
RET P07949 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
PTGES O14684 2/20 0.33
MARK3 P27448 1/20 0.31
PIK3CD O00329 2/20 0.31
HDAC11 Q96DB2 1/20 0.31

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
SCHEMBL941413 0.91 HDAC11 (0.41) FGFR1RETAURKAAURKBPTGES
SCHEMBL938739 0.91 HDAC11 (0.36) FGFR1RETAURKAAURKBPTGES
SCHEMBL939150 0.91 CSNK1E (0.35) CSNK1ECSNK1G3FGFR1RETPTGES
SCHEMBL940006 0.89 HDAC11 (0.39) FGFR1RETAURKAAURKBPTGES
SCHEMBL941048 0.88 FGFR1 (0.39) FGFR1RETAURKAAURKBPTGES
SCHEMBL940266 0.88 PTGES (0.38) FGFR1RETAURKAAURKBPTGES
SCHEMBL939309 0.86 AURKB (0.38) FGFR1RETAURKAAURKBMARK3
SCHEMBL940838 0.86 PTGES (0.36) CSNK1EFGFR1RETAURKAAURKB
SCHEMBL939855 0.86 FGFR1 (0.46) FGFR1RETAURKAAURKBHDAC11
SCHEMBL939356 0.86 POLB (0.43) FGFR1RETAURKAAURKBPTGES

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
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

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 CSNK1E 431/4885CSNK1G3 312/4885FGFR1 776/4885

“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.