SCHEMBL941048

SCHEMBL941048

Cc1cc2nc(Nc3ccc(-c4c(C(=O)NCC(F)(F)F)cn5ncnc(N)c45)cc3)[nH]c2cc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.39
RET P07949 1/20 0.37
TBK1 Q9UHD2 5/20 0.36
RIPK1 Q13546 2/20 0.36
KDR P35968 5/20 0.35
PTGES O14684 1/20 0.35
CCNT1 O60563 2/20 0.35
FLT3 P36888 2/20 0.35
CDK9 P50750 2/20 0.35
IKBKE Q14164 2/20 0.35
RPS6KA6 Q9UK32 2/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
MAPK14 Q16539 2/20 0.34
HPSE Q9Y251 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34

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
SCHEMBL940006 0.92 HDAC11 (0.39) FGFR1RETTBK1RIPK1KDR
SCHEMBL940266 0.91 PTGES (0.38) FGFR1RETTBK1RIPK1KDR
SCHEMBL939855 0.91 FGFR1 (0.46) FGFR1RETTBK1RIPK1KDR
SCHEMBL939309 0.90 AURKB (0.38) FGFR1RETTBK1RIPK1KDR
SCHEMBL941158 0.89 RAF1 (0.39) FGFR1RETTBK1KDRPTGES
SCHEMBL940838 0.89 PTGES (0.36) FGFR1RETTBK1RIPK1KDR
SCHEMBL940283 0.89 FGFR1 (0.36) FGFR1RETTBK1CCNT1FLT3
SCHEMBL940095 0.89 AURKB (0.40) FGFR1RETTBK1KDRMAPK14
SCHEMBL939356 0.89 POLB (0.43) FGFR1RETTBK1RIPK1KDR
SCHEMBL940272 0.89 MEN1 (0.43) FGFR1RETTBK1CCNT1FLT3

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 5 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 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 FGFR1 776/4885RET 1389/4885TBK1 436/4885

“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.