SCHEMBL939803

SCHEMBL939803

Nc1ncnn2cc(C(=O)NC3CC3)c(-c3ccc(Nc4nc5ccc(Oc6ccccc6)c(F)c5[nH]4)cc3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
BTK Q06187 3/20 0.35
CSNK2A2 P19784 6/20 0.34
CSNK2A1 P68400 6/20 0.34
MAP2K1 Q02750 1/20 0.34
EGFR P00533 2/20 0.33
ERBB2 P04626 2/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
RET P07949 1/20 0.33
RIPK1 Q13546 2/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
YES1 P07947 1/20 0.33
LYN P07948 1/20 0.33
HCK P08631 1/20 0.33
FGR P09769 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
SCHEMBL941469 0.97 AURKA (0.39) TNK2AURKAAURKBBTKMAP2K1
SCHEMBL939325 0.90 MAP2K1 (0.37) TNK2AURKAAURKBMAP2K1EGFR
SCHEMBL940039 0.90 MAP2K1 (0.37) TNK2AURKAAURKBMAP2K1EGFR
SCHEMBL940395 0.90 TNK2 (0.39) TNK2BTKCSNK2A2CSNK2A1MAP2K1
SCHEMBL939563 0.89 MAP2K1 (0.36) TNK2AURKAAURKBMAP2K1EGFR
SCHEMBL941500 0.89 MAP2K1 (0.40) TNK2MAP2K1EGFRERBB2MAPK14
SCHEMBL940250 0.88 RIPK1 (0.38) AURKAMAP2K1EGFRERBB2MAPK14
SCHEMBL940074 0.88 FGFR1 (0.36) TNK2BTKMAP2K1EGFRERBB2
SCHEMBL938736 0.87 RIPK1 (0.39) TNK2AURKAAURKBMAP2K1EGFR
SCHEMBL938666 0.87 FGFR1 (0.35) TNK2BTKMAP2K1EGFRERBB2

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

“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.