SCHEMBL940247

SCHEMBL940247

CCN(C)C(=O)c1cn2ncnc(N)c2c1-c1ccc(Nc2nc3ccc(Oc4ccccc4)c(F)c3[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.38
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
FGFR1 P11362 4/20 0.34
RIPK1 Q13546 3/20 0.33
BRD4 O60885 1/20 0.33
TNK2 Q07912 5/20 0.32
KDR P35968 2/20 0.31
ABL1 P00519 2/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
PAK4 O96013 1/20 0.31
CHEK2 O96017 1/20 0.31
NTRK1 P04629 1/20 0.31
INSR P06213 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CSF1R P07333 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
SCHEMBL940039 0.90 MAP2K1 (0.37) MAP2K1EGFRERBB2FGFR1RIPK1
SCHEMBL938822 0.89 MAP2K1 (0.49) MAP2K1EGFRERBB2KDR
SCHEMBL939325 0.89 MAP2K1 (0.37) MAP2K1EGFRERBB2FGFR1RIPK1
SCHEMBL941500 0.88 MAP2K1 (0.40) MAP2K1EGFRERBB2FGFR1RIPK1
SCHEMBL939563 0.87 MAP2K1 (0.36) MAP2K1EGFRERBB2FGFR1RIPK1
SCHEMBL940250 0.86 RIPK1 (0.38) MAP2K1EGFRERBB2FGFR1RIPK1
SCHEMBL938738 0.86 MAP2K1 (0.38) MAP2K1EGFRERBB2FGFR1RIPK1
SCHEMBL940074 0.86 FGFR1 (0.36) MAP2K1EGFRERBB2FGFR1RIPK1
SCHEMBL938736 0.85 RIPK1 (0.39) MAP2K1EGFRERBB2FGFR1RIPK1
SCHEMBL938666 0.85 FGFR1 (0.35) MAP2K1EGFRERBB2FGFR1RIPK1

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 8 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

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 MAP2K1 1055/4885EGFR 1566/4885ERBB2 838/4885

“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.