SCHEMBL939619

SCHEMBL939619

Nc1ncnn2cc(C(=O)N3CCOCC3)c(-c3ccc(Nc4nc5ccc(Oc6ccccc6)c(F)c5[nH]4)cc3)c12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.38
PIK3CA P42336 9/20 0.38
PIK3CD O00329 4/20 0.38
BTK Q06187 5/20 0.36
PIK3CB P42338 3/20 0.36
ATR Q13535 1/20 0.35
FGFR1 P11362 1/20 0.35
PDE10A Q9Y233 1/20 0.34
MAP2K1 Q02750 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
SCHEMBL940074 0.95 FGFR1 (0.36) MTORPIK3CAPIK3CDBTKFGFR1
SCHEMBL938666 0.95 FGFR1 (0.35) MTORPIK3CAPIK3CDBTKFGFR1
SCHEMBL940039 0.90 MAP2K1 (0.37) FGFR1MAP2K1
SCHEMBL939325 0.87 MAP2K1 (0.37) FGFR1MAP2K1
SCHEMBL939803 0.86 TNK2 (0.36) BTKMAP2K1
SCHEMBL939563 0.86 MAP2K1 (0.36) PIK3CAPIK3CDPIK3CBFGFR1MAP2K1
SCHEMBL938822 0.85 MAP2K1 (0.49) MAP2K1
SCHEMBL941469 0.85 AURKA (0.39) BTKMAP2K1
SCHEMBL15204167 0.85 TNK2 (0.34) BTKFGFR1MAP2K1
SCHEMBL940395 0.84 TNK2 (0.39) BTKMAP2K1

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 MTOR 440/4885PIK3CA 108/4885PIK3CD 147/4885

“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.