SCHEMBL4147007

SCHEMBL4147007

O=C(NC1CC1)c1ccc2[nH]nc(C=Cc3ccc(F)cc3)c2c1OCCO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CCR3 P51677 1/20 0.39
DYRK1A Q13627 3/20 0.39
DRD3 P35462 1/20 0.39
CNR1 P21554 6/20 0.37
CNR2 P34972 6/20 0.37
KDR P35968 2/20 0.37
WNT1 P04628 1/20 0.37
KDM5A P29375 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
FAAH O00519 1/20 0.36
ABHD12 Q8N2K0 1/20 0.36
NTRK1 P04629 1/20 0.35

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
SCHEMBL4147005 1.00 LMNA (0.39) LMNACCR3DYRK1ADRD3CNR1
SCHEMBL4153406 0.96 LMNA (0.39) LMNACCR3DYRK1ADRD3CNR1
SCHEMBL4153403 0.96 LMNA (0.39) LMNACCR3DYRK1ADRD3CNR1
SCHEMBL4153253 0.91 LMNA (0.38) LMNACCR3DYRK1ADRD3CNR1
SCHEMBL4153260 0.91 LMNA (0.38) LMNACCR3DYRK1ADRD3CNR1
SCHEMBL4152746 0.87 DRD3 (0.47) LMNACCR3DYRK1ADRD3CNR1
SCHEMBL4152742 0.87 DRD3 (0.47) LMNACCR3DYRK1ADRD3CNR1
SCHEMBL4156710 0.85 LMNA (0.43) LMNACCR3DYRK1ACNR1CNR2
SCHEMBL4145298 0.85 CHEK1 (0.40) KDRNTRK1
SCHEMBL4156715 0.85 LMNA (0.43) LMNACCR3DYRK1ACNR1CNR2

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 LMNA 3403/4885CCR3 675/4885DYRK1A 228/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B LMNA 3498/4885CCR3 518/4885DYRK1A 258/4885

“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.