SCHEMBL4137445

SCHEMBL4137445

COc1c(C(=O)NC2CC2)ccc2[nH]nc(/C=C/c3ccc(C)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A12 P48065 1/20 0.39
DRD3 P35462 1/20 0.38
KDR P35968 2/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PTK2 Q05397 1/20 0.36
DRD4 P21917 1/20 0.35
TSHR P16473 1/20 0.35
MAPK10 P53779 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
SCHEMBL4137449 1.00 CYP3A4 (0.40) CYP3A4MAPTCYP2C9CYP2C19KDM4E
SCHEMBL4144114 0.92 NPSR1 (0.44) CYP3A4MAPTKDM4EALDH1A1SLC6A12
SCHEMBL4144118 0.92 NPSR1 (0.44) CYP3A4MAPTKDM4EALDH1A1SLC6A12
SCHEMBL4152746 0.91 DRD3 (0.47) SLC6A12DRD3CNR1CNR2
SCHEMBL4143662 0.91 SLC6A12 (0.40) KDM4EALDH1A1SLC6A12DRD3KDR
SCHEMBL4145155 0.91 USP2 (0.41) KDM4EALDH1A1SLC6A12DRD3KDR
SCHEMBL4152742 0.91 DRD3 (0.47) SLC6A12DRD3CNR1CNR2
SCHEMBL4145163 0.91 USP2 (0.41) KDM4EALDH1A1SLC6A12DRD3KDR
SCHEMBL4143656 0.91 SLC6A12 (0.40) KDM4EALDH1A1SLC6A12DRD3KDR
SCHEMBL4140651 0.91 KDM4E (0.46) KDM4EALDH1A1SLC6A12DRD3KDR

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 9 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 CYP3A4 588/4885MAPT 2811/4885CYP2C9 908/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CYP3A4 1005/4885MAPT 3014/4885CYP2C9 1578/4885

“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.