SCHEMBL6096730

SCHEMBL6096730

[CH2]Cc1ccc(-n2nc(C)c(-c3ccc(F)cc3)c2C)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.76
CYP2D6 P10635 1/20 0.55
AR P10275 5/20 0.53
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL6095453 0.89 CYP1A2 (0.59) CYP1A2CYP2D6ARLMNAMEN1
SCHEMBL6097637 0.88 CYP1A2 (0.59) CYP1A2CYP2D6ARLMNAMEN1
SCHEMBL6096261 0.86 CYP1A2 (0.56) CYP1A2CYP2D6ARLMNANPC1
SCHEMBL6098683 0.86 CYP1A2 (0.56) CYP1A2CYP2D6ARLMNAMEN1
SCHEMBL6097575 0.86 CYP1A2 (0.56) CYP1A2LMNAMEN1NPC1RAB9A
SCHEMBL6098463 0.84 CYP1A2 (0.58) CYP1A2CYP2D6ARNPC1RAB9A
SCHEMBL6097555 0.84 CYP1A2 (0.72) CYP1A2CYP2D6ARLMNAMEN1
SCHEMBL6097821 0.84 CYP1A2 (0.81) CYP1A2CYP2D6ARLMNAMEN1
SCHEMBL6096797 0.84 CYP1A2 (0.72) CYP1A2CYP2D6AR
SCHEMBL6098356 0.84 CYP1A2 (0.54) CYP1A2CYP2D6LMNANPC1RAB9A

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
CN-1946391-A Combinations comprising alpha-2-delta ligands PFIZER PROD INC (US) 2007-04-11 CN claimed
US-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US claimed
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 claimed
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 670/4885CYP2D6 801/4885AR 110/4885

“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.