SCHEMBL12909232

SCHEMBL12909232

CC(C)(C)NC(=O)c1cn2ncnc(N)c2c1-c1ccc(Nc2nc3ccc(Cl)nc3[nH]2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.34
ALOX5AP P20292 5/20 0.33
FEN1 P39748 4/20 0.33
FGFR1 P11362 3/20 0.33
AURKB Q96GD4 2/20 0.31
AURKA O14965 1/20 0.31
MAPK1 P28482 2/20 0.30
TBK1 Q9UHD2 1/20 0.30
CSNK1D P48730 1/20 0.30
CSNK1G2 P78368 1/20 0.30
RIPK1 Q13546 1/20 0.30
IKBKB O14920 1/20 0.30
PDPK1 O15530 1/20 0.30
EGFR P00533 1/20 0.30
NTRK1 P04629 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CDK1 P06493 1/20 0.30
LYN P07948 1/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL14494547 0.90 FGFR1 (0.37) FGFR1AURKBAURKAMAPK1CSNK1G2
SCHEMBL940101 0.89 SYK (0.37) SYKALOX5APFEN1FGFR1AURKB
SCHEMBL941050 0.87 ALOX5AP (0.37) SYKALOX5APFEN1FGFR1CSNK1D
SCHEMBL938423 0.82 CSNK1E (0.38) SYKALOX5APFEN1FGFR1CSNK1D
SCHEMBL940593 0.82 FGFR1 (0.37) FGFR1RIPK1
SCHEMBL743353 0.80 ALOX5AP (0.42) ALOX5APFEN1FGFR1AURKBAURKA
SCHEMBL939208 0.79 TBK1 (0.37) FGFR1AURKBAURKATBK1RIPK1
SCHEMBL938624 0.78 FGFR1 (0.33) FGFR1TBK1RIPK1FLT3MAPK9
SCHEMBL941440 0.78 FGFR1 (0.35) FGFR1AURKBAURKARIPK1MARK3
SCHEMBL941171 0.78 FGFR1 (0.35) FGFR1AURKBAURKAMAPK1RIPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US 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
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 SYK 1599/4885ALOX5AP 2684/4885FEN1 1521/4885

“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.