SCHEMBL744251

SCHEMBL744251

Cc1cccc(NC(=O)Nc2ccc(-c3c(C(=O)NC4CC4)cn4ncnc(N)c34)cc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
NEK7 Q8TDX7 3/20 0.41
CSNK2A2 P19784 6/20 0.40
CSNK2A1 P68400 6/20 0.40
OPRM1 P35372 1/20 0.39
AURKB Q96GD4 3/20 0.38
AURKA O14965 2/20 0.38
KDR P35968 2/20 0.38
IKBKB O14920 1/20 0.38
PDPK1 O15530 1/20 0.38
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CDK1 P06493 1/20 0.38
LYN P07948 1/20 0.38
PIM1 P11309 1/20 0.38
MARK3 P27448 1/20 0.38
MAPK1 P28482 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL744917 0.92 MAPK14 (0.43) MAPK14CSNK2A2CSNK2A1AURKBAURKA
SCHEMBL744362 0.90 RAB9A (0.40) MAPK14NEK7AURKBAURKAKDR
SCHEMBL743943 0.89 FLT3 (0.39) NEK7AURKBAURKAKDRIKBKB
SCHEMBL746492 0.89 RAB9A (0.41) NEK7AURKBAURKAKDRIKBKB
SCHEMBL742347 0.88 MAPK14 (0.40) MAPK14NEK7AURKBAURKAKDR
SCHEMBL744085 0.88 FGFR1 (0.46) MAPK14NEK7AURKBAURKAKDR
SCHEMBL3616001 0.88 AURKB (0.49) MAPK14CSNK2A2CSNK2A1AURKBAURKA
SCHEMBL743410 0.86 ATM (0.39) MAPK14NEK7AURKBAURKAKDR
SCHEMBL744356 0.86 SHMT2 (0.40) NEK7AURKBAURKAKDRIKBKB
SCHEMBL744854 0.86 FLT3 (0.38) NEK7AURKBAURKAKDRIKBKB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 US claimed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 US claimed
EP-2203060-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2010-07-07 EP claimed
WO-2009042543-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2009-04-02 WO claimed
US-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 US disclosed
US-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 US disclosed
US-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 US disclosed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 US disclosed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 US disclosed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 US disclosed
EP-2203060-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2010-07-07 EP disclosed
WO-2009042543-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2009-04-02 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-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 MAPK14 1250/4885NEK7 139/4885CSNK2A2 284/4885

“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.