SCHEMBL25070622

SCHEMBL25070622

CCc1ccnc(CC(C)c2ncccc2C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ CASP3 P42574 1/20 0.35

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
SCHEMBL22221833 0.85 HPGD (0.43) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10120091 0.77 HPGD (0.56) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20758796 0.77 ALDH1A1 (0.35) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20755826 0.75 HPGD (0.38) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23986930 0.72 NOS3 (0.41) CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL2627822 0.72 HPGD (0.53) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30540817 0.71 HPGD (0.44) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25639311 0.71 NOS3 (0.48) CYP1A2CYP3A4ALDH1A1SMN1; SMN2NPC1
SCHEMBL20207667 0.70 NOS3 (0.52) CYP1A2CYP3A4ALDH1A1SMN1; SMN2NPC1
SCHEMBL22221911 0.68 L3MBTL1 (0.36) HPGDCYP1A2CYP2D6CYP2C9CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 — — 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-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 HPGD 1118/4885CYP1A2 3297/4885CYP2D6 3004/4885

“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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