SCHEMBL743479

SCHEMBL743479

Nc1ccc(-c2c(C(=O)O)cn3ncnc(N)c23)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.46
AURKB Q96GD4 4/20 0.39
AURKA O14965 3/20 0.39
TNK2 Q07912 2/20 0.38
IKBKB O14920 1/20 0.37
PDPK1 O15530 1/20 0.37
EGFR P00533 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CDK1 P06493 1/20 0.37
LYN P07948 1/20 0.37
PIM1 P11309 1/20 0.37
MARK3 P27448 1/20 0.37
MAPK1 P28482 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK9 P45984 1/20 0.37
CDK8 P49336 1/20 0.37
GSK3A P49840 1/20 0.37

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
SCHEMBL10225374 0.90 AURKB (0.40) FGFR1AURKBAURKATNK2IKBKB
SCHEMBL743353 0.85 ALOX5AP (0.42) FGFR1AURKBAURKATNK2IKBKB
SCHEMBL276495 0.84 EGFR (0.46) FGFR1EGFRKDR
SCHEMBL12909124 0.84 FGFR1 (0.52) FGFR1AURKBAURKAIKBKBPDPK1
SCHEMBL762324 0.84 FGFR1 (0.36) FGFR1AURKBAURKATNK2IKBKB
Hydrochloric Acid SCHEMBL275478 0.83 EGFR (0.45) FGFR1EGFRKDR
SCHEMBL3622248 0.83 FGFR1 (0.48) FGFR1AURKBAURKAIKBKBPDPK1
SCHEMBL762823 0.82 FGFR1 (0.41) FGFR1AURKBAURKAIKBKBPDPK1
SCHEMBL941401 0.79 FGFR1 (0.44) FGFR1KDM4EKMT2APIK3CD
SCHEMBL15222003 0.79 KDR (0.47) FGFR1AURKBAURKALCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101365454-B substituted 4-amino-pyrrolotriazine derivatives BAYER HEALTHCARE LLC (US) 2016-03-30 CN disclosed
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP disclosed
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-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 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-8138336-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-03-20 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
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 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
CN-101448506-A Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER PHARMACEUTICALS CORP (US) 2009-06-03 CN disclosed
WO-2007064932-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2007-06-07 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 (2 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 FGFR1 776/4885AURKB 4/4885AURKA 2/4885
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 FGFR1 776/4885AURKB 4/4885AURKA 2/4885

“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.