SCHEMBL4929151

SCHEMBL4929151

CCOC(=O)c1cc(-c2ccc(C)cn2)n(-c2cccnn2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CA9 Q16790 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
JMJD6 Q6NYC1 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNA7 P36544 2/20 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
SCHEMBL4932988 0.88 ALDH1A1 (0.53) KMT2AALDH1A1CA9MEN1MAPT
SCHEMBL4931356 0.86 MEN1 (0.41) KMT2AALDH1A1MEN1MAPT
SCHEMBL5269059 0.85 CA9 (0.43) KMT2AALDH1A1CA9MEN1MAPT
SCHEMBL4934184 0.84 CA9 (0.45) KMT2AALDH1A1CA9MEN1MAPT
SCHEMBL4933068 0.84 CA9 (0.42) KMT2ACA9MAPTGAAFAAH
SCHEMBL5267019 0.84 CA9 (0.42) KMT2AALDH1A1CA9MAPTGAA
SCHEMBL4923164 0.83 KMT2A (0.43) KMT2AALDH1A1CA9MEN1MAPT
SCHEMBL4927987 0.82 KMT2A (0.54) KMT2AALDH1A1CA9MEN1MAPT
SCHEMBL5524327 0.81 CNR1 (0.38)
SCHEMBL5270935 0.80 CA9 (0.51) KMT2AALDH1A1CA9MEN1MAPT

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 4 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
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP 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 KMT2A 1719/4885ALDH1A1 248/4885CA9 1503/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 KMT2A 2339/4885ALDH1A1 171/4885CA9 3499/4885

“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.