SCHEMBL525271

SCHEMBL525271

O=C(O)c1csc(Nc2ccncc2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
VCP P55072 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
AMY1A P0DUB6 1/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 1/20 0.48
GFER P55789 1/20 0.48
CSNK2A1 P68400 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ESR1 P03372 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRPV4 Q9HBA0 1/20 0.46

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
SCHEMBL2285389 0.87 AMY1A (0.60) KDM1AL3MBTL1SMN1; SMN2GAANPC1
SCHEMBL525812 0.83 KDM1A (0.56) KDM1AL3MBTL1SMN1; SMN2GAANPC1
SCHEMBL4919827 0.83 KDM1A (0.76) KDM1AL3MBTL1SMN1; SMN2GAANPC1
SCHEMBL525682 0.83 KDM1A (0.76) KDM1ASMN1; SMN2VCPGAANPC1
SCHEMBL5200233 0.83 MAPT (0.68) KDM1AL3MBTL1SMN1; SMN2GAANPC1
SCHEMBL525526 0.82 MAPK1 (0.62) L3MBTL1SMN1; SMN2VCPGAANPC1
SCHEMBL525630 0.82 CFTR (0.54) KDM1AL3MBTL1SMN1; SMN2GAANPC1
SCHEMBL5185201 0.81 L3MBTL1 (0.53) KDM1AL3MBTL1SMN1; SMN2GAANPC1
SCHEMBL11886334 0.79 CSNK2A1 (0.52) KDM1AL3MBTL1SMN1; SMN2GAANPC1
SCHEMBL525597 0.79 CSNK2A1 (0.65) L3MBTL1SMN1; SMN2VCPGAANPC1

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 11 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 claimed
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 claimed
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
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
CN-1362947-A N-cyanomethylamides as protease inhibitors AXYS PHARM INC (US) 2002-08-07 CN disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 US 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 (3 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 KDM1A 1439/4885L3MBTL1 2986/4885SMN1; SMN2 3462/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 KDM1A 1439/4885L3MBTL1 2986/4885SMN1; SMN2 3462/4885
US-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 KDM1A 2509/4885L3MBTL1 4021/4885SMN1; SMN2 3066/4885

“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.