SCHEMBL6351242

SCHEMBL6351242

COC(=O)C(C#N)=CC1(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TNNI3 P19429 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ TNNT2 P45379 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ TNNC1 P63316 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6351240 1.00 APP (0.38) APPADORA2AADORA2BADORA1POLB
SCHEMBL3994275 0.81 CYP2C9 (0.54) POLBKDM4EALDH1A1MAPTKMT2A
SCHEMBL3994272 0.81 CYP2C9 (0.54) POLBKDM4EALDH1A1MAPTKMT2A
SCHEMBL6112138 0.76 ADORA2A (0.34) APPADORA2AADORA2BADORA1POLB
SCHEMBL6112142 0.76 ADORA2A (0.34) APPADORA2AADORA2BADORA1POLB
SCHEMBL7474650 0.75 — —
SCHEMBL18655709 0.75 — —
SCHEMBL7618854 0.75 — —
SCHEMBL19421181 0.74 MEN1 (0.42) ALDH1A1MAPTKMT2AMEN1
SCHEMBL18959125 0.72 — —

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-20050096354-A1 Process for the preparation of substituted aryl pyrazoles PFIZER, INC. (US) 2005-05-05 — — US disclosed
WO-2005023773-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED ARYL PYRAZOLES PFIZER LIMITED (GB) 2005-03-17 — — 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-20050096354-A1 Process for the preparation of substituted aryl pyrazoles CYP3A5, DDT, CYP3A4 APP 1430/4885ADORA2A 3836/4885ADORA2B 3508/4885

“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.

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