SCHEMBL744085

SCHEMBL744085

CCNC(=O)c1cn2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)n2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.46
MAPK14 Q16539 6/20 0.39
FLT3 P36888 5/20 0.39
AURKB Q96GD4 4/20 0.39
AURKA O14965 3/20 0.39
KDR P35968 2/20 0.39
MAPK9 P45984 2/20 0.39
RPS6KA3 P51812 2/20 0.39
PRKCD Q05655 2/20 0.39
KIT P10721 1/20 0.39
IKBKB O14920 1/20 0.39
PDPK1 O15530 1/20 0.39
EGFR P00533 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CDK1 P06493 1/20 0.39
LYN P07948 1/20 0.39
PIM1 P11309 1/20 0.39
MARK3 P27448 1/20 0.39

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 0.94 MAPK14 (0.40) FGFR1MAPK14FLT3AURKBAURKA
SCHEMBL744356 0.92 SHMT2 (0.40) FGFR1FLT3AURKBAURKAKDR
SCHEMBL744854 0.92 FLT3 (0.38) FGFR1FLT3AURKBAURKAKDR
SCHEMBL744362 0.92 RAB9A (0.40) MAPK14FLT3AURKBAURKAKDR
Hydrochloric Acid SCHEMBL744245 0.91 FLT3 (0.38) FGFR1FLT3AURKBAURKAKDR
Bromide SCHEMBL741865 0.91 FLT3 (0.38) FGFR1FLT3AURKBAURKAKDR
SCHEMBL742685 0.91 FGFR1 (0.46) FGFR1MAPK14FLT3AURKBAURKA
SCHEMBL743410 0.91 ATM (0.39) FGFR1MAPK14FLT3AURKBAURKA
SCHEMBL15222039 0.90 FGFR1 (0.43) FGFR1FLT3AURKBAURKAKDR
SCHEMBL743943 0.90 FLT3 (0.39) FGFR1FLT3AURKBAURKAKDR

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 11 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
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 FGFR1 776/4885MAPK14 1250/4885FLT3 379/4885

“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.