SCHEMBL4395319

SCHEMBL4395319

CNc1nc(C)c(C(=O)c2sc(NC)nc2C)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
L3MBTL1 Q9Y468 1/20 0.57
JAK2 O60674 3/20 0.51
EGFR P00533 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.47
KMT2A Q03164 2/20 0.47
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
RXFP1 Q9HBX9 2/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL8554963 0.86 ALDH1A1 (0.55) ALDH1A1L3MBTL1JAK2EGFRRAB9A
SCHEMBL1592594 0.86 RXFP1 (0.62) ALDH1A1L3MBTL1JAK2EGFRRAB9A
Hydrochloric Acid SCHEMBL14053819 0.84 RXFP1 (0.60) ALDH1A1L3MBTL1JAK2EGFRRAB9A
SCHEMBL12852574 0.84 ALDH1A1 (0.54) ALDH1A1L3MBTL1JAK2EGFRRAB9A
SCHEMBL25696684 0.84 ALDH1A1 (0.54) ALDH1A1L3MBTL1JAK2EGFRRAB9A
SCHEMBL4393473 0.82 RXFP1 (0.53) ALDH1A1L3MBTL1RAB9ASMN1; SMN2TSHR
SCHEMBL27594743 0.81 L3MBTL1 (0.55) ALDH1A1L3MBTL1JAK2EGFRRAB9A
SCHEMBL1593094 0.80 L3MBTL1 (0.54) ALDH1A1L3MBTL1JAK2EGFRRAB9A
SCHEMBL8556695 0.78 L3MBTL1 (0.73) ALDH1A1L3MBTL1RAB9ASMN1; SMN2TSHR
Bromide SCHEMBL14052848 0.78 L3MBTL1 (0.52) ALDH1A1L3MBTL1JAK2EGFRRAB9A

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 ALDH1A1 760/4885L3MBTL1 2304/4885JAK2 33/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ALDH1A1 760/4885L3MBTL1 2304/4885JAK2 33/4885

“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.