SCHEMBL939792

SCHEMBL939792

COCc1cccc(-c2ccc3nc(Nc4ccc(-c5c(C(=O)NCC(F)(F)F)cn6ncnc(N)c56)cc4)[nH]c3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.37
AURKA O14965 5/20 0.35
AURKB Q96GD4 5/20 0.35
TBK1 Q9UHD2 3/20 0.33
KDR P35968 4/20 0.32
FGFR3 P22607 1/20 0.32
MAPK14 Q16539 1/20 0.32
RIPK1 Q13546 4/20 0.32
CCNT1 O60563 1/20 0.31
ULK1 O75385 1/20 0.31
FLT3 P36888 1/20 0.31
CDK9 P50750 1/20 0.31
IKBKE Q14164 1/20 0.31
STK17A Q9UEE5 1/20 0.31
RPS6KA6 Q9UK32 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
RET P07949 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
SCHEMBL12909230 0.92 FGFR1 (0.44) FGFR1AURKAAURKBKDRMAPK14
SCHEMBL939561 0.87 FGFR1 (0.38) FGFR1AURKAAURKBKDRRIPK1
SCHEMBL939604 0.85 FGFR1 (0.40) FGFR1TBK1KDRRIPK1RET
SCHEMBL939743 0.84 FGFR1 (0.38) FGFR1AURKAAURKBKDRRIPK1
SCHEMBL938723 0.83 FGFR1 (0.36) FGFR1TBK1KDRFGFR3MAPK14
SCHEMBL939395 0.83 FGFR1 (0.35) FGFR1AURKAAURKBKDRRIPK1
SCHEMBL941171 0.83 FGFR1 (0.35) FGFR1AURKAAURKBKDRRIPK1
SCHEMBL938648 0.82 FGFR1 (0.35) FGFR1AURKAAURKBKDRRIPK1
SCHEMBL941875 0.82 FGFR1 (0.35) FGFR1AURKAAURKBKDRMAPK14
SCHEMBL940857 0.82 FGFR1 (0.35) FGFR1AURKAAURKBKDRRIPK1

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 11 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
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 776/4885AURKA 2/4885AURKB 4/4885

“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.