SCHEMBL5726352

SCHEMBL5726352

COC(=O)C(C)Sc1ncc(Cc2cccs2)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.42
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SIRT2 Q8IXJ6 4/20 0.38
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 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
SCHEMBL5726424 0.81 MAPT (0.41) TSHRLMNAMAPTALDH1A1KMT2A
SCHEMBL5726367 0.77 ABCB1 (0.50) TSHRMAPTALDH1A1KMT2ACYP2C19
SCHEMBL3957456 0.70 — —
SCHEMBL5726650 0.70 TP53 (0.48) TSHRLMNAMAPTALDH1A1KMT2A
SCHEMBL5726333 0.70 MAPT (0.41) TSHRMAPTALDH1A1KMT2ACYP1A2
SCHEMBL5726244 0.69 PIK3CD (0.36) ALDH1A1
SCHEMBL5727573 0.68 PIK3CD (0.43) TSHRLMNACYP2C9
SCHEMBL5727576 0.68 PIK3CD (0.43) TSHRLMNACYP2C9
SCHEMBL5726530 0.67 PIK3CD (0.37) TSHRLMNAMAPTALDH1A1KMT2A
SCHEMBL5727637 0.66 ALDH1A1 (0.40) TSHRMAPTALDH1A1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138404-B2 4-aminopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-21 — — US claimed
EP-1395568-B1 4-AMINOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-11-02 — — EP claimed
EP-1395568-A1 4-AMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-10 — — EP claimed
US-20030022907-A1 4-aminopyrimidine derivatives HOFFMANN-LA ROCHE INC. 2003-01-30 — — US claimed
WO-2002094795-A1 4-AMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 — — WO claimed
US-7138404-B2 4-aminopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-21 — — US disclosed
EP-1395568-B1 4-AMINOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-11-02 — — EP disclosed
EP-1395568-A1 4-AMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-10 — — EP disclosed
US-20030022907-A1 4-aminopyrimidine derivatives HOFFMANN-LA ROCHE INC. 2003-01-30 — — US disclosed
WO-2002094795-A1 4-AMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 — — 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-20030022907-A1 4-aminopyrimidine derivatives GRM5, GRIK5, GRM1 LRRK2 1536/4885PKM 1461/4885TSHR 1355/4885

“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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