SCHEMBL4728751

SCHEMBL4728751

C=C(C)c1cncc2ccc(C(=O)OC)nc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
PTGER4 P35408 1/20 0.39
LCK P06239 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
NQO2 P16083 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
IAPP P10997 1/20 0.33

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
SCHEMBL3241200 0.79 LCK (0.46) MAPK1PTGER4LCKPDE4DKDM4E
SCHEMBL4580779 0.78 MAPK1 (0.42) MAPK1PTGER4LCKKDM4EL3MBTL1
SCHEMBL24664691 0.74 MAPT (0.42) MAPK1PTGER4KDM4EL3MBTL1GAA
SCHEMBL4995737 0.74 MAPK1 (0.50) MAPK1PTGER4LCKKDM4EL3MBTL1
SCHEMBL15228552 0.72 CYP1A2 (0.44) PTGER4PDE4DKDM4EL3MBTL1ALDH1A1
SCHEMBL24993601 0.72 MRGPRX4 (0.42) MAPK1LCKKDM4EL3MBTL1ALDH1A1
SCHEMBL31429914 0.71 KDM4E (0.48) PTGER4KDM4EALDH1A1GAANQO2
SCHEMBL15742916 0.69 ALDH1A1 (0.43) MAPK1KDM4EALDH1A1CCNCCDK8
SCHEMBL327145 0.68 ALDH1A1 (0.46) MAPK1LCKKDM4EL3MBTL1ALDH1A1
SCHEMBL24746934 0.67 L3MBTL1 (0.37) MAPK1KDM4EL3MBTL1ALDH1A1GLA

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR MAPK1 115/4885PTGER4 1722/4885LCK 66/4885

“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.