SCHEMBL5726333

SCHEMBL5726333

C#CCSc1ncc(Cc2cccs2)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BCAT1 P54687 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADCY10 Q96PN6 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADRA1D P25100 2/20 0.33
▸ ADORA3 P0DMS8 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
SCHEMBL5726650 0.81 TP53 (0.48) MAPTRAB9AL3MBTL1PIK3CDPIK3CB
SCHEMBL5726244 0.80 PIK3CD (0.36) PIK3CDPIK3CBALDH1A1ADCY10ADRA1D
SCHEMBL5726530 0.77 PIK3CD (0.37) MAPTRAB9AL3MBTL1PIK3CDPIK3CB
SCHEMBL5726424 0.76 MAPT (0.41) MAPTRAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL3957456 0.76 — —
SCHEMBL5726367 0.74 ABCB1 (0.50) MAPTRAB9AALDH1A1KDM4EMEN1
SCHEMBL5727573 0.73 PIK3CD (0.43) PIK3CDPIK3CBTSHRADCY10ADRA1D
SCHEMBL5727576 0.73 PIK3CD (0.43) PIK3CDPIK3CBTSHRADCY10ADRA1D
SCHEMBL5726352 0.70 LRRK2 (0.42) MAPTL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL9390272 0.64 PIK3CD (0.43) PIK3CDPIK3CBALDH1A1KDM4ETSHR

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 MAPT 2205/4885RAB9A 1679/4885L3MBTL1 4158/4885

“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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