SCHEMBL743410

SCHEMBL743410

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.39
KDR P35968 3/20 0.38
MET P08581 3/20 0.38
FGFR1 P11362 1/20 0.37
MAPK14 Q16539 1/20 0.37
FLT3 P36888 3/20 0.37
KIT P10721 1/20 0.37
AURKB Q96GD4 2/20 0.36
NTRK1 P04629 2/20 0.36
NTRK2 Q16620 2/20 0.36
IKBKB O14920 1/20 0.36
PDPK1 O15530 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CDK1 P06493 1/20 0.36
LYN P07948 1/20 0.36
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL742347 0.92 MAPK14 (0.40) KDRFGFR1MAPK14FLT3KIT
SCHEMBL742768 0.92 NTRK2 (0.43) KDRFGFR1MAPK14FLT3KIT
SCHEMBL744085 0.91 FGFR1 (0.46) KDRFGFR1MAPK14FLT3KIT
SCHEMBL744356 0.89 SHMT2 (0.40) KDRFGFR1FLT3KITAURKB
SCHEMBL744854 0.89 FLT3 (0.38) KDRFGFR1FLT3KITAURKB
SCHEMBL15221945 0.88 AURKB (0.44) KDRMETFGFR1FLT3KIT
SCHEMBL744362 0.88 RAB9A (0.40) KDRMAPK14FLT3KITAURKB
Bromide SCHEMBL741865 0.88 FLT3 (0.38) KDRFGFR1FLT3KITAURKB
Hydrochloric Acid SCHEMBL744245 0.88 FLT3 (0.38) KDRFGFR1FLT3KITAURKB
SCHEMBL743943 0.87 FLT3 (0.39) KDRFGFR1FLT3KITAURKB

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
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
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 ATM 206/4885KDR 1946/4885MET 2131/4885

“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.