SCHEMBL4140646

SCHEMBL4140646

COc1c(C(=O)NC2CC2)ccc2[nH]nc(/C=C/c3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SLC6A12 P48065 1/20 0.46
MCHR1 Q99705 4/20 0.42
KDR P35968 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
PTK2 Q05397 1/20 0.40
DRD3 P35462 1/20 0.40
CHEK1 O14757 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL4140651 1.00 KDM4E (0.46) KDM4EALDH1A1SLC6A12MCHR1KDR
SCHEMBL4137449 0.91 CYP3A4 (0.40) KDM4EALDH1A1SLC6A12KDRCNR1
SCHEMBL4152735 0.91 KDR (0.39) KDM4EALDH1A1SLC6A12KDRPTK2
SCHEMBL4152731 0.91 KDR (0.39) KDM4EALDH1A1SLC6A12KDRPTK2
SCHEMBL4144114 0.91 NPSR1 (0.44) KDM4EALDH1A1SLC6A12MCHR1KDR
SCHEMBL4137445 0.91 CYP3A4 (0.40) KDM4EALDH1A1SLC6A12KDRCNR1
SCHEMBL4144118 0.91 NPSR1 (0.44) KDM4EALDH1A1SLC6A12MCHR1KDR
SCHEMBL4152742 0.90 DRD3 (0.47) SLC6A12CNR1CNR2DRD3DYRK1A
SCHEMBL4145155 0.90 USP2 (0.41) KDM4EALDH1A1SLC6A12MCHR1KDR
SCHEMBL4143656 0.90 SLC6A12 (0.40) KDM4EALDH1A1SLC6A12MCHR1KDR

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 KDM4E 2622/4885ALDH1A1 2731/4885SLC6A12 4548/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDM4E 2795/4885ALDH1A1 2713/4885SLC6A12 4640/4885

“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.