SCHEMBL4075272

SCHEMBL4075272

O=C(O)N[C@@H](CCO)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
PRKACA P17612 1/20 0.43
CDK8 P49336 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PRKX P51817 1/20 0.43
PRKCQ Q04759 1/20 0.43
ROCK1 Q13464 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
RPS6KB1 P23443 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL5662464 1.00 CNR2 (0.43) CNR2PRKACACDK8GSK3AGSK3B
SCHEMBL4076705 0.86 CNR2 (0.45) CNR2PRKACAGSK3AGSK3BPRKX
SCHEMBL27813795 0.86 CNR2 (0.45) CNR2PRKACAGSK3AGSK3BPRKX
SCHEMBL4070072 0.86 CNR2 (0.45) CNR2PRKACAGSK3AGSK3BPRKX
SCHEMBL3886204 0.84 ROCK1 (0.56) PRKACACDK8GSK3AGSK3BPRKX
SCHEMBL1120036 0.84 ROCK1 (0.56) PRKACACDK8GSK3AGSK3BPRKX
SCHEMBL21962635 0.83 CYP1A2 (0.44) CNR2PRKACACDK8GSK3AGSK3B
SCHEMBL22691123 0.83 CYP1A2 (0.44) CNR2PRKACACDK8GSK3AGSK3B
SCHEMBL20544982 0.83 WDR91 (0.49) KDM4E
SCHEMBL4021992 0.81 ROCK1 (0.53) CNR2PRKACACDK8GSK3AGSK3B

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
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 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-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK CNR2 3146/4885PRKACA 7/4885CDK8 371/4885

“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.