Sugi Predict

Sugi Predict / Compounds / SCHEMBL6097500

SCHEMBL6097500

SCHEMBL6097500

[CH2]Cc1ccc(-n2nc(C)c(-c3ccc4ccccc4c3)c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 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
SCHEMBL6097575 0.84 CYP1A2 (0.56) CYP1A2KDM4ENPSR1LMNAKMT2A
SCHEMBL6099703 0.83 MAPT (0.43) CYP1A2KDM4ENPSR1ALDH1A1RAB9A
SCHEMBL6097998 0.82 CYP1A2 (0.51) CYP1A2KDM4ENPSR1KMT2AMEN1
SCHEMBL6095984 0.81 CYP1A2 (0.48) CYP1A2KDM4ENPSR1LMNAALDH1A1
SCHEMBL6095453 0.81 CYP1A2 (0.59) CYP1A2KDM4ENPSR1LMNAKMT2A
SCHEMBL6097652 0.81 CYP1A2 (0.50) CYP1A2LMNACYP2D6ALDH1A1GAA
SCHEMBL6098463 0.80 CYP1A2 (0.58) CYP1A2KDM4ENPSR1CYP2D6ALDH1A1
SCHEMBL6096209 0.80 CYP1A2 (0.49) CYP1A2KDM4ENPSR1LMNACYP2D6
SCHEMBL6098356 0.80 CYP1A2 (0.54) CYP1A2KDM4ELMNACYP3A4CYP2C9
SCHEMBL6096730 0.79 CYP1A2 (0.76) CYP1A2LMNAKMT2AMEN1CYP2D6

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 CYP1A2 670/4885KDM4E 624/4885NPSR1 560/4885

“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.