SCHEMBL4401488

SCHEMBL4401488

CNc1nc(Cc2ccccc2)c(C(=O)c2sc(NC)nc2Cc2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
TSHR P16473 2/20 0.54
CCNA2 P20248 2/20 0.54
CDK2 P24941 2/20 0.54
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
LMNA P02545 1/20 0.45
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4397796 0.87 SCD (0.44) SMN1; SMN2RAB9ATSHRNPC1ALDH1A1
SCHEMBL4398547 0.85 NPC1 (0.53) SMN1; SMN2RAB9ACCNA2CDK2LMNA
SCHEMBL4397988 0.80 DHODH (0.52) SMN1; SMN2RAB9ACCNA2CDK2ADORA2A
SCHEMBL4394380 0.79 ADORA2A (0.61) SMN1; SMN2RAB9AADORA2AADORA1NPC1
SCHEMBL16004694 0.75 MAOB (0.42) SMN1; SMN2RAB9AADORA2AADORA1LMNA
SCHEMBL4395486 0.75 ADORA3 (0.61) SMN1; SMN2RAB9ACCNA2CDK2ADORA2A
SCHEMBL13585260 0.73 KMT2A (0.44) SMN1; SMN2RAB9ATSHRADORA2AADORA1
SCHEMBL13584703 0.71 ADORA2A (0.36) SMN1; SMN2RAB9AADORA2AADORA1LMNA
SCHEMBL3586148 0.71 SCD (0.73) SMN1; SMN2RAB9ATSHRNPC1ALDH1A1
SCHEMBL3593166 0.71 SCD (0.55) SMN1; SMN2RAB9ACDK2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829014-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-09-09 US disclosed
EP-2007393-B1 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS UNIV LOUISIANA STATE (US) 2013-08-21 EP disclosed
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers GIORDANO ANTHONY (US) 2012-11-08 US disclosed
US-8217037-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers B.V. PATEL PHARMACEUTICAL EDUCATION & RESEARCH DEVELOPMENT (PERD) CENTRE (IN) 2009-12-10 US disclosed
EP-2007393-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 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-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB SMN1; SMN2 4250/4885RAB9A 3231/4885TSHR 158/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB SMN1; SMN2 4250/4885RAB9A 3231/4885TSHR 158/4885

“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.