SCHEMBL4923262

SCHEMBL4923262

COC(=O)c1cc(-c2ccc(C)cn2)n(-c2cccnc2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MARS1 P56192 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
NFE2L2 Q16236 1/20 0.39
FYN P06241 2/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL4927987 0.89 KMT2A (0.54) CYP3A4CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL4932097 0.88 MARS1 (0.53) CYP3A4CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL4926726 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMARS1CNR1
SCHEMBL5522031 0.84 CNR1 (0.52) CYP3A4CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL4933534 0.83 NFE2L2 (0.41) ALDH1A1MEN1KMT2AMARS1CNR1
SCHEMBL4931796 0.82 NTRK1 (0.41) CYP3A4CYP2A6MARS1SLC16A3SLC16A1
SCHEMBL5518588 0.81 CNR1 (0.66) CYP3A4CYP2A6MARS1CNR1CNR2
SCHEMBL4927600 0.81 CCKAR (0.42) MGLLPTGS2
SCHEMBL4929793 0.81 MGLL (0.52) CYP3A4CYP2A6ALDH1A1MGLL
SCHEMBL5522045 0.80 CNR1 (0.55) CYP3A4CYP2A6MARS1CNR1CNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 CYP3A4 65/4885CYP2A6 131/4885ALDH1A1 248/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 CYP3A4 151/4885CYP2A6 175/4885ALDH1A1 171/4885

“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.