SCHEMBL5727006

SCHEMBL5727006

N#Cc1cccc(Nc2nc(N)c(C(=O)c3ccccc3C#N)s2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.53
CCNA2 P20248 7/20 0.53
CDK5 Q00535 7/20 0.53
CDK5R1 Q15078 7/20 0.53
GSK3B P49841 3/20 0.53
MAPT P10636 3/20 0.52
GSK3A P49840 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPK14 Q16539 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL5726698 0.81 MEN1 (0.65) CDK2CCNA2CDK5CDK5R1GSK3B
SCHEMBL4483833 0.80 CCNA2 (0.75) CDK2CCNA2CDK5CDK5R1GSK3B
SCHEMBL4467043 0.80 CDK5 (0.63) CDK2CCNA2CDK5CDK5R1GSK3B
SCHEMBL4470938 0.80 CDK5 (0.72) CDK2CCNA2CDK5CDK5R1GSK3B
SCHEMBL4481106 0.80 CCNA2 (0.77) CDK2CCNA2CDK5CDK5R1GSK3B
SCHEMBL20141867 0.78 GSK3A (0.63) CDK2CCNA2CDK5CDK5R1GSK3B
SCHEMBL4489714 0.78 MAPT (0.73) CDK2CCNA2CDK5CDK5R1GSK3B
SCHEMBL4479918 0.77 CDK5 (0.57) CDK2CCNA2CDK5CDK5R1GSK3B
SCHEMBL4487484 0.77 GSK3B (0.64) CDK2CCNA2CDK5CDK5R1GSK3B
SCHEMBL5892502 0.76 CDK4 (0.75) CDK5GSK3BGSK3A

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 CDK2 1/4885CCNA2 24/4885CDK5 22/4885

“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.