SCHEMBL4152248

SCHEMBL4152248

COc1c(C(=O)NCC(=O)OC(C)(C)C)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
KCNA3 P22001 1/20 0.33
KMT2A Q03164 1/20 0.32
CHEK1 O14757 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL6426345 0.89 LMNA (0.36) DRD3DRD2DRD4MAPTLMNA
SCHEMBL13927848 0.89 DRD3 (0.35) DRD3DRD2DRD4MAPTKCNA3
SCHEMBL4139682 0.89 DRD3 (0.35) DRD3DRD2DRD4MAPTKCNA3
SCHEMBL4148230 0.88 CHEK1 (0.35) DRD3DRD2DRD4MAPTLMNA
SCHEMBL4148210 0.88 CHEK1 (0.35) DRD3DRD2DRD4MAPTLMNA
SCHEMBL4152354 0.88 TP53 (0.38) MAPTLMNATP53KMT2A
SCHEMBL4152350 0.88 TP53 (0.38) MAPTLMNATP53KMT2A
SCHEMBL4150244 0.87 POLB (0.40) DRD3DRD2DRD4MAPTLMNA
SCHEMBL4150256 0.87 POLB (0.40) DRD3DRD2DRD4MAPTLMNA
SCHEMBL4145998 0.86 KDM4E (0.37) DRD3DRD2DRD4MAPTLMNA

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 7 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-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 DRD3 1139/4885DRD2 1343/4885DRD4 2231/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DRD3 1224/4885DRD2 1517/4885DRD4 2433/4885

“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.