SCHEMBL31748577

SCHEMBL31748577

O=C(O)C1=CNC(c2ccncc2)=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ CDC7 O00311 3/20 0.33
▸ DBF4 Q9UBU7 2/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CSNK1G1 Q9HCP0 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL3649681 0.67 TSHR (0.36) LMNA
SCHEMBL10769458 0.63 TSHR (0.33) HSD17B10LMNAKMT2A
SCHEMBL17329284 0.62 NPC1 (0.50) NAPRTMAPTALDH1A1HSD17B10AKR1C3
SCHEMBL1353356 0.60 TSHR (0.42) NAPRTALDH1A1HSD17B10LMNAKMT2A
Terephthalic Acid SCHEMBL17360384 0.60 NAPRT (0.76) NAPRTMAPTNOTUMLMNAHDAC1
SCHEMBL1648478 0.60 MAPT (0.48) NAPRTMAPTALDH1A1HSD17B10NOTUM
SCHEMBL205344 0.59 NAPRT (0.73) NAPRTMAPTMAPK14LMNAHDAC1
SCHEMBL21652691 0.59 NAPRT (0.73) NAPRTMAPTMAPK14LMNAHDAC1
SCHEMBL21652706 0.59 NAPRT (0.73) NAPRTMAPTMAPK14LMNAHDAC1
SCHEMBL17112959 0.59 NAPRT (0.65) NAPRTMAPTALDH1A1CDC7LMNA

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-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 — — US claimed

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-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN8A, SCN1B, SCN3A NAPRT 1480/4885MAPT 4183/4885ALDH1A1 2279/4885

“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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