SCHEMBL4404095

SCHEMBL4404095

Nc1nc(Nc2ccccc2)sc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.82
CDK2 P24941 9/20 0.82
CDK5 Q00535 7/20 0.82
CDK5R1 Q15078 7/20 0.82
MAPT P10636 5/20 0.82
NPC1 O15118 2/20 0.82
GSK3A P49840 1/20 0.82
GSK3B P49841 1/20 0.82
RAB9A P51151 1/20 0.82
MAPK14 Q16539 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
LMNA P02545 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.71
TP53 P04637 1/20 0.68

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
SCHEMBL7757586 0.95 CCNA2 (0.82) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4398263 0.93 CDK5 (0.72) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL20142073 0.91 CCNA2 (0.68) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL1248419 0.91 CCNA2 (1.00) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL5724765 0.90 CCNA2 (0.87) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL25609626 0.88 CCNA2 (0.85) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL1250519 0.88 CCNA2 (0.85) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL13633763 0.88 CDK5 (0.65) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL20142846 0.88 CCNA2 (0.78) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL20142403 0.88 CCNA2 (0.78) CCNA2CDK2CDK5CDK5R1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO claimed
WO-2018089902-A1 DIAMINOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2018-05-17 WO disclosed
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
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2001-11-08 US disclosed
WO-2001056567-A1 2,4-DIAMINOTHIAZOLE DERIVATIVES AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 (GSK-3) INHIBITORS NOVO NORDISK A/S (DK) 2001-08-09 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-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB CCNA2 2213/4885CDK2 409/4885CDK5 732/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB CCNA2 2213/4885CDK2 409/4885CDK5 732/4885
US-20010039275-A1 Use of 2,4-diaminothiazole derivatives GSK3A, GSK3B, GSKIP CCNA2 3738/4885CDK2 566/4885CDK5 923/4885

“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.