SCHEMBL941469

SCHEMBL941469

Nc1ncnn2cc(C(=O)NC3CCCC3)c(-c3ccc(Nc4nc5ccc(Oc6ccccc6)c(F)c5[nH]4)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
TNK2 Q07912 4/20 0.36
RET P07949 4/20 0.35
MAPK14 Q16539 1/20 0.34
MAPT P10636 1/20 0.34
BTK Q06187 3/20 0.34
BRD4 O60885 1/20 0.33
RIPK1 Q13546 1/20 0.33
MAP2K1 Q02750 1/20 0.33
AXL P30530 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL939803 0.97 TNK2 (0.36) AURKAAURKBTNK2RETMAPK14
SCHEMBL939563 0.89 MAP2K1 (0.36) AURKAAURKBTNK2MAPK14RIPK1
SCHEMBL939325 0.89 MAP2K1 (0.37) AURKAAURKBTNK2RIPK1MAP2K1
SCHEMBL940039 0.89 MAP2K1 (0.37) AURKAAURKBTNK2RIPK1MAP2K1
SCHEMBL940395 0.89 TNK2 (0.39) TNK2MAPTBTKRIPK1MAP2K1
SCHEMBL940074 0.88 FGFR1 (0.36) TNK2BTKRIPK1MAP2K1
SCHEMBL941500 0.88 MAP2K1 (0.40) TNK2MAPK14RIPK1MAP2K1
SCHEMBL938666 0.87 FGFR1 (0.35) TNK2BTKRIPK1MAP2K1
SCHEMBL940250 0.87 RIPK1 (0.38) AURKAMAPK14RIPK1MAP2K1
SCHEMBL938736 0.86 RIPK1 (0.39) AURKAAURKBTNK2RIPK1MAP2K1

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 10 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
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 AURKA 2/4885AURKB 4/4885TNK2 53/4885

“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.