SCHEMBL940395

SCHEMBL940395

Nc1ncnn2cc(C(=O)NCC3CC3)c(-c3ccc(Nc4nc5ccc(Oc6ccccc6)c(F)c5[nH]4)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 7/20 0.39
RIPK1 Q13546 2/20 0.36
MAP2K1 Q02750 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
EGFR P00533 2/20 0.35
ERBB2 P04626 1/20 0.35
BTK Q06187 4/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
TEC P42680 1/20 0.34
BMX P51813 1/20 0.34
CD69 Q07108 1/20 0.34
ITK Q08881 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
SCHEMBL939803 0.90 TNK2 (0.36) TNK2RIPK1MAP2K1EGFRERBB2
SCHEMBL941500 0.90 MAP2K1 (0.40) TNK2RIPK1MAP2K1EGFRERBB2
SCHEMBL938736 0.90 RIPK1 (0.39) TNK2RIPK1MAP2K1EGFRERBB2
SCHEMBL940250 0.89 RIPK1 (0.38) RIPK1MAP2K1EGFRERBB2ERBB4
SCHEMBL941469 0.89 AURKA (0.39) TNK2RIPK1MAP2K1MAPTBTK
SCHEMBL938738 0.89 MAP2K1 (0.38) TNK2RIPK1MAP2K1EGFRERBB2
SCHEMBL939325 0.89 MAP2K1 (0.37) TNK2RIPK1MAP2K1EGFRERBB2
SCHEMBL940039 0.89 MAP2K1 (0.37) TNK2RIPK1MAP2K1EGFRERBB2
SCHEMBL939563 0.88 MAP2K1 (0.36) TNK2RIPK1MAP2K1EGFRERBB2
SCHEMBL940074 0.86 FGFR1 (0.36) TNK2RIPK1MAP2K1EGFRERBB2

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 TNK2 53/4885RIPK1 333/4885MAP2K1 1055/4885

“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.