SCHEMBL6097652

SCHEMBL6097652

[CH2]Cc1ccc(-n2nc(C)c(-c3ccc(Cl)c(Cl)c3)c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
AR P10275 1/20 0.45
MAP3K14 Q99558 4/20 0.42
P2RX7 Q99572 1/20 0.41
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL6096261 0.85 CYP1A2 (0.56) CYP1A2ARCYP2D6LMNAGAA
SCHEMBL6095453 0.82 CYP1A2 (0.59) CYP1A2ARCYP2D6ALDH1A1LMNA
SCHEMBL10144074 0.82 MAPT (0.52) ARMAP3K14P2RX7ALDH1A1MAPT
SCHEMBL6097500 0.81 CYP1A2 (0.49) CYP1A2ARCYP2D6ALDH1A1LMNA
SCHEMBL6097998 0.81 CYP1A2 (0.51) CYP1A2CYP2D6ALDH1A1MAPTL3MBTL1
SCHEMBL6098683 0.80 CYP1A2 (0.56) CYP1A2ARCYP2D6ALDH1A1LMNA
SCHEMBL6096730 0.80 CYP1A2 (0.76) CYP1A2ARCYP2D6LMNASRC
SCHEMBL6097890 0.80 SMN1; SMN2 (0.55) CYP1A2ALDH1A1LMNAMAPT
SCHEMBL6097575 0.80 CYP1A2 (0.56) CYP1A2ALDH1A1LMNAMAPTGAA
SCHEMBL6097637 0.79 CYP1A2 (0.59) CYP1A2ARCYP2D6ALDH1A1LMNA

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 2 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
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

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 CYP1A2 670/4885AR 110/4885MAP3K14 831/4885

“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.