SCHEMBL525588

SCHEMBL525588

O=C(O)c1csc(Nc2ccccn2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.61
RAB9A P51151 13/20 0.61
MEN1 O00255 9/20 0.61
KMT2A Q03164 9/20 0.61
MECP2 P51608 1/20 0.58
KCNN1 Q92952 1/20 0.58
KCNN2 Q9H2S1 1/20 0.58
MBD2 Q9UBB5 1/20 0.58
KCNN3 Q9UGI6 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
MAPT P10636 6/20 0.56
LMNA P02545 4/20 0.56
NFKB1 P19838 4/20 0.56
NFKB2 Q00653 4/20 0.56
RELA Q04206 4/20 0.56
TP53 P04637 3/20 0.56
MAPK1 P28482 3/20 0.56
TDP1 Q9NUW8 1/20 0.54
GAA P10253 2/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL18006550 0.87 MECP2 (0.57) NPC1RAB9AMEN1KMT2AMECP2
SCHEMBL2374694 0.82 NPC1 (0.51) NPC1RAB9AMEN1KMT2AMECP2
SCHEMBL31681834 0.82 NPC1 (0.51) NPC1RAB9AMEN1KMT2AMECP2
SCHEMBL525057 0.80 RAB9A (0.60) NPC1RAB9AMEN1KMT2AMECP2
SCHEMBL2285389 0.80 AMY1A (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3227030 0.79 KDM4E (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18029579 0.79 AMY1A (0.61) NPC1RAB9AMEN1KMT2AMECP2
SCHEMBL1475812 0.79 NPC1 (0.76) NPC1RAB9AMEN1KMT2AMECP2
SCHEMBL29427802 0.79 NPC1 (0.76) NPC1RAB9AMEN1KMT2AMECP2
SCHEMBL14742760 0.77 RAB9A (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 14 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
EP-3645531-A1 THIAZOLE COMPOUNDS USEFUL AS PRMT5 INHIBITORS Bayer Aktiengesellschaft (DE) 2020-05-06 EP disclosed
US-20200123147-A1 THIAZOLE COMPOUNDS USEFUL AS PRMT5 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-04-23 US disclosed
WO-2019002074-A1 THIAZOLE COMPOUNDS USEFUL AS PRMT5 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-01-03 WO disclosed
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-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20200123147-A1 THIAZOLE COMPOUNDS USEFUL AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT6 NPC1 2953/4885RAB9A 2145/4885MEN1 297/4885
US-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 NPC1 987/4885RAB9A 1440/4885MEN1 681/4885
US-20120029029-A1 SUBSTITUTED THIAZOL-2-YLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS 11-BETA HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 NPC1 205/4885RAB9A 4547/4885MEN1 1600/4885

“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.