SCHEMBL5726650

SCHEMBL5726650

C=CCSc1ncc(Cc2cccs2)c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL5726333 0.81 MAPT (0.41) KDM4ERAB9AL3MBTL1TSHRHSD17B10
SCHEMBL5726244 0.80 PIK3CD (0.36) MAPK1PIK3CDPIK3CBPNPALDH1A1
SCHEMBL5868064 0.79 L3MBTL1 (0.50) TP53KDM4ERAB9AL3MBTL1LMNA
SCHEMBL5726530 0.77 PIK3CD (0.37) RAB9AL3MBTL1LMNATSHRHSD17B10
SCHEMBL5726424 0.76 MAPT (0.41) KDM4ERAB9AL3MBTL1LMNATSHR
SCHEMBL3957456 0.76 — —
SCHEMBL5726367 0.74 ABCB1 (0.50) KDM4ERAB9ATSHRMAPK1HSD17B10
SCHEMBL5727573 0.73 PIK3CD (0.43) LMNATSHRPIK3CDPIK3CBCYP2C9
SCHEMBL5727576 0.73 PIK3CD (0.43) LMNATSHRPIK3CDPIK3CBCYP2C9
SCHEMBL5726228 0.72 TP53 (0.60) TP53RAB9AL3MBTL1MEN1KMT2A

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 TP53 4658/4885KDM4E 730/4885RAB9A 1679/4885

“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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