SCHEMBL4394284

SCHEMBL4394284

COc1ccc(Nc2nc(N)c(C(=O)c3ccc(Cl)cc3Cl)s2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.68
CDK4 P11802 1/20 0.68
CCND1 P24385 1/20 0.68
CDK9 P50750 1/20 0.68
CDK6 Q00534 1/20 0.68
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
NPC1 O15118 2/20 0.67
CDK5 Q00535 7/20 0.65
CDK5R1 Q15078 7/20 0.65
MAPT P10636 6/20 0.63
TP53 P04637 3/20 0.63
RXFP1 Q9HBX9 1/20 0.63
TUBB8B A6NNZ2 1/20 0.62
TUBB4A P04350 1/20 0.62
TUBB P07437 1/20 0.62
TUBB4B P68371 1/20 0.62
TUBB3 Q13509 1/20 0.62
TUBB2A Q13885 1/20 0.62
TUBB8 Q3ZCM7 1/20 0.62

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
SCHEMBL4391145 0.91 CCNT1 (0.73) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL4391380 0.87 CCNA2 (0.70) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL4393604 0.84 MEN1 (0.88) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL4395515 0.84 MEN1 (0.88) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL4477981 0.83 CDK5 (0.81) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL20142301 0.82 MEN1 (0.79) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL4397229 0.81 MEN1 (1.00) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL25609741 0.79 MAPT (0.80) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL31415115 0.79 MEN1 (0.73) MEN1KMT2ANPC1CDK5CDK5R1
SCHEMBL25609584 0.79 MEN1 (0.73) MEN1KMT2ANPC1CDK5CDK5R1

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 5 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

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 CCNT1 2727/4885CDK4 126/4885CCND1 3735/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB CCNT1 2727/4885CDK4 126/4885CCND1 3735/4885

“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.