SCHEMBL525606

SCHEMBL525606

CCOC(=O)c1csc(Nc2ccncc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.64
MAOB P27338 2/20 0.64
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
RAB9A P51151 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
GAA P10253 2/20 0.57
CA12 O43570 6/20 0.57
CA1 P00915 6/20 0.57
CA2 P00918 6/20 0.57
CA9 Q16790 6/20 0.57
EGFR P00533 1/20 0.55
MAPT P10636 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 2/20 0.54
HSP90AA1 P07900 1/20 0.54

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
SCHEMBL21708021 0.88 MAPT (0.68) CYP1A2CYP2C19RAB9ATDP1NPC1
SCHEMBL4789312 0.88 SMN1; SMN2 (0.69) CYP1A2CYP2C19RAB9ATDP1NPC1
SCHEMBL21708008 0.87 KDM1A (0.67) CYP1A2CYP2C19RAB9ATDP1NPC1
SCHEMBL5041112 0.86 EGFR (0.73) CYP1A2CYP2C19RAB9ANPC1SMN1; SMN2
SCHEMBL10464406 0.86 MAPT (0.65) CYP1A2CYP2C19RAB9ATDP1NPC1
SCHEMBL525373 0.85 MAOA (0.64) MAOAMAOBCYP1A2CYP2C19RAB9A
SCHEMBL21708010 0.85 GAA (0.64) CYP1A2CYP2C19RAB9ATDP1NPC1
SCHEMBL790315 0.85 MAPT (0.64) CYP1A2CYP2C19RAB9ANPC1SMN1; SMN2
SCHEMBL20530863 0.83 SMN1; SMN2 (0.72) CYP1A2CYP2C19RAB9ATDP1NPC1
SCHEMBL2831045 0.82 L3MBTL1 (0.62) CYP1A2CYP2C19RAB9ATDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513430-B2 Substituted thiazol-2-ylamine derivatives, pharmaceutical compositions, and methods of use as 11-beta HSD1 modulators HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-20 US disclosed
US-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 US disclosed
WO-2012015715-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-02 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-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 MAOA 2110/4885MAOB 2138/4885CYP1A2 165/4885

“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.