SCHEMBL4145302

SCHEMBL4145302

O=C(O)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OCCO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.40
MAPK1 P28482 7/20 0.34
TRPA1 O75762 1/20 0.34
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
ENPP2 Q13822 1/20 0.33
AURKA O14965 1/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
KDR P35968 1/20 0.32
NTRK1 P04629 1/20 0.32
BRS3 P32247 1/20 0.32

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
SCHEMBL4145298 1.00 CHEK1 (0.40) CHEK1MAPK1TRPA1PRKAB2PRKAG1
SCHEMBL4143864 0.95 CHEK1 (0.35) CHEK1TRPA1PRKAB2PRKAG1PRKAA2
SCHEMBL4143861 0.95 CHEK1 (0.35) CHEK1TRPA1PRKAB2PRKAG1PRKAA2
SCHEMBL4139328 0.89 TRPA1 (0.32) CHEK1TRPA1PRKAA2PRKAA1ENPP2
SCHEMBL4139333 0.89 TRPA1 (0.32) CHEK1TRPA1PRKAA2PRKAA1ENPP2
SCHEMBL4146502 0.87 ALDH1A1 (0.37) CHEK1MAPK1
SCHEMBL4146508 0.87 ALDH1A1 (0.37) CHEK1MAPK1
SCHEMBL4147005 0.85 LMNA (0.39) KDRNTRK1
SCHEMBL4147007 0.85 LMNA (0.39) KDRNTRK1
SCHEMBL4156162 0.85 MEN1 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B CHEK1 952/4885MAPK1 7/4885TRPA1 2083/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CHEK1 657/4885MAPK1 6/4885TRPA1 1859/4885

“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.