SCHEMBL6097690

SCHEMBL6097690

CCOC(=O)c1ccc(-n2nc(C)c(-c3ccccc3)c2C)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 9/20 0.50
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
TSHR P16473 1/20 0.50
P2RY12 Q9H244 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PDE4D Q08499 1/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SLC11A2 P49281 1/20 0.43

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
SCHEMBL6096779 0.76 NPC1 (0.40) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL3687264 0.74 SLC11A2 (0.61) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6172425 0.74 OXTR (0.39) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1222552 0.73 NPC1 (0.62) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL8546622 0.72 ALDH1A1 (0.65) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6097884 0.71 CYP1A2 (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6584014 0.71 KMT2A (0.75) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6096848 0.71 KDM4E (0.42) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3683672 0.70 ALDH1A1 (0.50) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL4273717 0.70 NPC1 (0.75) MEN1KMT2AMAPTALDH1A1KDM4E

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-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US disclosed
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 US disclosed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 WO 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 (1 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-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR MEN1 3821/4885KMT2A 2815/4885MAPT 3914/4885

“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.