SCHEMBL940101

SCHEMBL940101

CC(C)(C)NC(=O)c1cn2ncnc(N)c2c1-c1ccc(Nc2nc3cc(Cl)cnc3[nH]2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
ALOX5AP P20292 5/20 0.34
FEN1 P39748 4/20 0.34
RIPK1 Q13546 3/20 0.32
FGFR1 P11362 2/20 0.32
ERN1 O75460 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
AURKA O14965 3/20 0.31
AURKB Q96GD4 3/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MAPK14 Q16539 1/20 0.31
RET P07949 1/20 0.31
BCR P11274 1/20 0.31
FLT3 P36888 1/20 0.31
FRK P42685 1/20 0.31
MAPK9 P45984 1/20 0.31
RPS6KA3 P51812 1/20 0.31
PRKCD Q05655 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
SCHEMBL12909232 0.89 SYK (0.34) SYKALOX5APFEN1RIPK1FGFR1
SCHEMBL941050 0.87 ALOX5AP (0.37) SYKALOX5APFEN1FGFR1LMNA
SCHEMBL938423 0.83 CSNK1E (0.38) SYKALOX5APFEN1FGFR1
SCHEMBL939208 0.80 TBK1 (0.37) RIPK1FGFR1TBK1AURKAAURKB
SCHEMBL14494547 0.79 FGFR1 (0.37) FGFR1AURKAAURKBMAPK14RET
SCHEMBL939113 0.78 PTGES (0.36) RIPK1FGFR1TBK1RETEGFR
SCHEMBL12909248 0.78 FGFR1 (0.44) FGFR1LMNAMAPK14
SCHEMBL941440 0.78 FGFR1 (0.35) RIPK1FGFR1AURKAAURKBRET
SCHEMBL743353 0.77 ALOX5AP (0.42) ALOX5APFEN1RIPK1FGFR1AURKA
SCHEMBL940593 0.77 FGFR1 (0.37) RIPK1FGFR1RET

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 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.