SCHEMBL4197676

SCHEMBL4197676

c1ccc(CSc2nc(Cc3ccccn3)n[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.49
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2E1 P05181 3/20 0.43
CYP2C8 P10632 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2B6 P20813 3/20 0.43
CYP2C19 P33261 3/20 0.43
DAO P14920 1/20 0.43
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKX P51817 1/20 0.39
AURKB Q96GD4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SGK2 Q9HBY8 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39

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
SCHEMBL5915150 0.90 NPC1 (0.48) RAB9ANPC1TP53KDM4ECYP1A2
SCHEMBL5915242 0.85 KDM4E (0.40) RAB9ANPC1TP53KDM4ECYP1A2
SCHEMBL4206038 0.84 DAO (0.50) RAB9ANPC1TP53DAOROCK2
SCHEMBL5915200 0.81 CYP1A2 (0.41) RAB9ANPC1KDM4EHSD17B10CYP1A2
SCHEMBL5915153 0.81 METAP2 (0.42) RAB9ANPC1KDM4EHSD17B10CYP1A2
SCHEMBL5915180 0.80 METAP2 (0.51) RAB9ANPC1TP53KDM4ECYP1A2
SCHEMBL4202526 0.79 KDM4E (0.40) RAB9ANPC1KDM4ECYP1A2CYP2E1
SCHEMBL5915214 0.79 GLA (0.40) RAB9ANPC1KDM4ECYP1A2CYP2E1
SCHEMBL5915192 0.79 CYP2C19 (0.51) RAB9ANPC1KDM4ECYP1A2CYP2E1
SCHEMBL5915179 0.78 KDM4E (0.39) RAB9ANPC1KDM4ECYP1A2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US claimed
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP disclosed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 US disclosed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 EP disclosed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 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-20060247280-A1 Compounds and methods METAP2, DNPEP, METAP1 RAB9A 1333/4885NPC1 3549/4885TP53 1130/4885

“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.