SCHEMBL4139714

SCHEMBL4139714

COc1c(C(=O)NCC(=O)NC2CC2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.41
KMT2A Q03164 1/20 0.39
NTRK1 P04629 1/20 0.37
DRD2 P14416 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CCR3 P51677 1/20 0.35
DYRK1A Q13627 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
SLC6A12 P48065 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4139702 1.00 DRD3 (0.41) DRD3KMT2ANTRK1DRD2LMNA
SCHEMBL4146156 0.97 DRD3 (0.40) DRD3KMT2ANTRK1LMNARAB9A
SCHEMBL4157518 0.97 DRD3 (0.40) DRD3KMT2ALMNARAB9ACNR1
SCHEMBL4146144 0.97 DRD3 (0.40) DRD3KMT2ANTRK1LMNARAB9A
SCHEMBL4157509 0.97 DRD3 (0.40) DRD3KMT2ALMNARAB9ACNR1
SCHEMBL4157491 0.96 CNR1 (0.40) DRD3KMT2ALMNARAB9ACNR1
SCHEMBL4157485 0.96 CNR1 (0.40) DRD3KMT2ALMNARAB9ACNR1
SCHEMBL4152742 0.90 DRD3 (0.47) DRD3KMT2ANTRK1DRD2LMNA
SCHEMBL4152746 0.90 DRD3 (0.47) DRD3KMT2ANTRK1DRD2LMNA
SCHEMBL4150256 0.89 POLB (0.40) DRD3KMT2ANTRK1DRD2LMNA

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 DRD3 1139/4885KMT2A 810/4885NTRK1 922/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DRD3 1224/4885KMT2A 741/4885NTRK1 897/4885

“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.