SCHEMBL525018

SCHEMBL525018

O=C(O)c1csc(NCc2cccnc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
RAB9A P51151 2/20 0.51
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
LTA4H P09960 1/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
VNN1 O95497 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
MMP13 P45452 1/20 0.47
CSNK2A1 P68400 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL525873 0.87 RAB9A (0.61) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL525660 0.86 ALDH1A1 (0.54) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL525526 0.77 MAPK1 (0.62) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL3093223 0.77 SCD (0.49) ALDH1A1RAB9AROCK2ROCK1MAPT
SCHEMBL525241 0.75 NPC1 (0.60) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL211074 0.74 ALDH1A1 (0.78) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL525421 0.73 KDM4E (0.58) ALDH1A1RAB9AROCK2ROCK1MAPT
SCHEMBL23222310 0.73 ALDH1A1 (0.65) ALDH1A1RAB9AROCK2ROCK1MAPT
SCHEMBL525190 0.72 MAPT (0.58) ALDH1A1RAB9AROCK2ROCK1MAPT
SCHEMBL4582783 0.71 KDM4E (0.49) ALDH1A1LTA4HMAPTSMN1; SMN2VNN1

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-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

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 ALDH1A1 196/4885RAB9A 4547/4885ROCK2 2926/4885

“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.