SCHEMBL5046972

SCHEMBL5046972

COc1cccc(-c2sc(N)nc2C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
GAA P10253 3/20 0.57
HSD17B10 Q99714 3/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 2/20 0.57
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.57
FBP1 P09467 1/20 0.54
ADORA1 P30542 2/20 0.49
ALDH1A1 P00352 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
GPR52 Q9Y2T5 1/20 0.46
ADORA2A P29274 2/20 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
SCHEMBL327291 0.84 MEN1 (0.54) MAPTTDP1KMT2AMEN1GAA
SCHEMBL8083511 0.81 MEN1 (0.54) MAPTTDP1KMT2AMEN1GAA
SCHEMBL48377 0.81 ALOX5 (0.62) MAPTTDP1KMT2AMEN1GAA
SCHEMBL7938350 0.79 FLT3 (0.47) MAPTTDP1KMT2AMEN1GAA
SCHEMBL2550598 0.79 ALDH1A1 (0.58) KMT2AMEN1HSD17B10RAB9ASMN1; SMN2
SCHEMBL9953765 0.78 TGFBR1 (0.48) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL28357067 0.78 MAPT (0.51) MAPTTDP1KMT2AMEN1GAA
SCHEMBL8084192 0.78 MAPT (0.51) MAPTTDP1KMT2AMEN1RAB9A
SCHEMBL982083 0.78 KDM4E (0.72) MAPTKMT2AMEN1HSD17B10RAB9A
SCHEMBL12864510 0.77 ALDH1A1 (0.49) MAPTTDP1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-11-28 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
EP-1983980-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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 (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-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 MAPT 1501/4885TDP1 1145/4885KMT2A 4375/4885
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 MAPT 1501/4885TDP1 1145/4885KMT2A 4375/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 MAPT 1501/4885TDP1 1145/4885KMT2A 4375/4885

“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.