SCHEMBL8230360

SCHEMBL8230360

Cc1nc(N)sc1-c1ccnc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
MCL1 Q07820 1/20 0.42
CDK4 P11802 4/20 0.41
CDK2 P24941 4/20 0.41
USP2 O75604 3/20 0.41
GAA P10253 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL1883531 0.81 MAPK14 (0.45) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL571475 0.79 PIK3CG (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL30476425 0.79 PIK3CG (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13469260 0.78 CDK4 (0.41) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL30500997 0.77 PIK3CA (0.51) PIK3CG
SCHEMBL15801542 0.77 PIK3CA (0.51) PIK3CG
SCHEMBL5956355 0.77 TGFBR1 (0.67) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL925443 0.76 ALDH1A1 (0.49) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28357067 0.76 MAPT (0.51) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1059811 0.76 PIK3CA (0.48) MAPTMEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105585565-A 2-phenylamino-4-thiazolyl pyridine derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives INST MATERIA MEDICA CAMS 2016-05-18 CN disclosed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US 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 (2 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-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 MAPT 1501/4885MEN1 3972/4885KMT2A 4375/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 MAPT 1501/4885MEN1 3972/4885KMT2A 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.