SCHEMBL878714

SCHEMBL878714

O=Nc1cccc(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.48
FGFR4 P22455 1/20 0.48
MET P08581 4/20 0.48
DYRK1A Q13627 3/20 0.47
PIK3CA P42336 2/20 0.47
NTRK1 P04629 1/20 0.47
NEK1 Q96PY6 2/20 0.46
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
CLK1 P49759 1/20 0.45
AAK1 Q2M2I8 2/20 0.44
KIT P10721 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
PDPK1 O15530 1/20 0.44
PLCG1 P19174 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAP4K1 Q92918 1/20 0.43
BRD4 O60885 1/20 0.41

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
SCHEMBL856729 0.82 ALK (0.48) FGFR1FGFR4METDYRK1APIK3CA
SCHEMBL413476 0.80 DYRK1A (0.51) FGFR1FGFR4METDYRK1APIK3CA
SCHEMBL878821 0.79 NEK1 (0.52) FGFR1FGFR4DYRK1APIK3CANTRK1
SCHEMBL878636 0.78 NEK1 (0.55) DYRK1APIK3CANTRK1NEK1CCNT1
SCHEMBL411515 0.78 DYRK1A (0.51) METDYRK1APIK3CANTRK1NEK1
SCHEMBL413929 0.78 DYRK1A (0.51) DYRK1APIK3CANTRK1NEK1CCNT1
SCHEMBL416733 0.77 CYP11B1 (0.50) METDYRK1APIK3CANTRK1NEK1
SCHEMBL856248 0.75 RIPK1 (0.61) METDYRK1ANTRK1NEK1PLCG1
SCHEMBL856247 0.75 CDK8 (0.54) NTRK1NEK1CDK2PDPK1PLCG1
SCHEMBL856722 0.74 DYRK1A (0.50) METDYRK1APIK3CANTRK1NEK1

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-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 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-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 FGFR1 775/4885FGFR4 1185/4885MET 556/4885

“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.