Sugi Predict

Sugi Predict / Compounds / SCHEMBL6099703

SCHEMBL6099703

SCHEMBL6099703

[CH2]Cc1ccc(-n2nc(C)c(-c3cnc4ccccc4c3)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ GRM4 Q14833 1/20 0.40
▸ PIK3CD O00329 2/20 0.38
▸ MTOR P42345 2/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP2A6 P11509 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL6097500 0.83 CYP1A2 (0.49) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL6097575 0.80 CYP1A2 (0.56) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL6098463 0.76 CYP1A2 (0.58) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL6097998 0.76 CYP1A2 (0.51) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL6095453 0.75 CYP1A2 (0.59) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL6097292 0.74 CYP1A2 (0.47) MAPTRAB9AALDH1A1CYP1A2KDM4E
SCHEMBL6097637 0.74 CYP1A2 (0.59) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL6096209 0.74 CYP1A2 (0.49) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL6095984 0.73 CYP1A2 (0.48) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL6098683 0.73 CYP1A2 (0.56) MAPTNPC1RAB9AALDH1A1CYP1A2

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 MAPT 3914/4885NPC1 2334/4885RAB9A 3940/4885

“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.