SCHEMBL939657

SCHEMBL939657

Nc1ncnn2cc(C(=O)NCC(F)(F)F)c(-c3ccc(Nc4nc5ccc(N6CCOCC6)nc5[nH]4)c(F)c3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.37
RET P07949 1/20 0.37
BCR P11274 1/20 0.37
FLT3 P36888 1/20 0.37
FRK P42685 1/20 0.37
MAPK9 P45984 1/20 0.37
RPS6KA3 P51812 1/20 0.37
PRKCD Q05655 1/20 0.37
DDR1 Q08345 1/20 0.37
MAP4K2 Q12851 1/20 0.37
TNK1 Q13470 1/20 0.37
RPS6KA1 Q15418 1/20 0.37
MAP3K11 Q16584 1/20 0.37
DDR2 Q16832 1/20 0.37
RPS6KA6 Q9UK32 1/20 0.37
TBK1 Q9UHD2 3/20 0.35
ACVRL1 P37023 1/20 0.34
MAPK14 Q16539 10/20 0.34
CFTR P13569 1/20 0.32
SIK1 P57059 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
SCHEMBL938624 0.95 FGFR1 (0.33) FGFR1RETBCRFLT3FRK
SCHEMBL939672 0.90 MAPK14 (0.36) TBK1MAPK14
SCHEMBL940593 0.87 FGFR1 (0.37) FGFR1RETRIPK1
SCHEMBL941440 0.85 FGFR1 (0.35) FGFR1RETRIPK1
SCHEMBL941174 0.85 FGFR1 (0.33) FGFR1RETTBK1
SCHEMBL940462 0.83 RIPK1 (0.36) FGFR1RETTBK1RIPK1
SCHEMBL939208 0.82 TBK1 (0.37) FGFR1RETTBK1RIPK1
SCHEMBL940100 0.82 FGFR1 (0.35) FGFR1RETBCRFLT3FRK
SCHEMBL940889 0.81 FGFR1 (0.36) FGFR1RETTBK1RIPK1
SCHEMBL939673 0.81 TBK1 (0.35) FGFR1RETTBK1RIPK1

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 FGFR1 776/4885RET 1389/4885BCR 1317/4885

“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.