SCHEMBL5726296

SCHEMBL5726296

COC(=O)c1cccc(Nc2nc(N)c(C(=O)c3ccccc3OC)s2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 10/20 0.70
CDK5R1 Q15078 10/20 0.70
CCNA2 P20248 6/20 0.62
CDK2 P24941 6/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 4/20 0.57
LMNA P02545 1/20 0.57
NPC1 O15118 2/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
RAB9A P51151 1/20 0.56
MAPK14 Q16539 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TUBB8B A6NNZ2 1/20 0.54
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54

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
SCHEMBL4484156 0.87 CCNA2 (0.73) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL1251102 0.87 CDK5 (0.85) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL14073915 0.82 CDK5 (0.79) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL7756986 0.79 CDK5 (0.71) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL7753399 0.79 MEN1 (0.72) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL14073917 0.78 CCNA2 (0.78) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL5724969 0.78 CDK5 (0.64) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL5725971 0.78 CDK5 (0.64) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL1250778 0.77 CCNA2 (1.00) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL4477198 0.77 MEN1 (1.00) CDK5CDK5R1CCNA2CDK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 EP disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 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 (1 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-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 CDK5 22/4885CDK5R1 50/4885CCNA2 24/4885

“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.