SCHEMBL764040

SCHEMBL764040

COC(=O)Cc1cn2ncnc(N)c2c1-c1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 16/20 0.39
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 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
SCHEMBL763960 0.87 FGFR1 (0.42) FGFR1
SCHEMBL13892299 0.81 FGFR1 (0.37) FGFR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL744286 0.80 EGFR (0.42) FGFR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL744320 0.80 FGFR1 (0.42) FGFR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL10123850 0.79 FGFR1 (0.40) FGFR1
SCHEMBL762162 0.77 FGFR1 (0.33) FGFR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL742979 0.77 LMNA (0.39) FGFR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL765527 0.76 RAB9A (0.40) FGFR1FLT1FGFR3KDR
SCHEMBL10123644 0.74 ALDH1A1 (0.39) FGFR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL3623677 0.73 MEN1 (0.40) FGFR1CYP1A2CYP3A4CYP2C19SMN1; SMN2

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 2 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 disclosed
US-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC 2010-10-28 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-20100273800-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 FGFR1 776/4885TP53 33/4885CYP1A2 4019/4885

“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.