SCHEMBL5725980

SCHEMBL5725980

CC(=O)N1CCN(c2ccc(Nc3nc(N)c(C(=O)c4c(Cl)cccc4Cl)s3)cc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK11A Q9UQ88 18/20 0.82
CCNT1 O60563 18/20 0.82
CDK9 P50750 18/20 0.82
CDK4 P11802 17/20 0.82
CCND1 P24385 17/20 0.82
CDK6 Q00534 17/20 0.82
LTK P29376 1/20 0.82
CLK2 P49760 1/20 0.82
GSK3A P49840 1/20 0.82
GSK3B P49841 1/20 0.82
CDK7 P50613 1/20 0.82
LIMK1 P53667 1/20 0.82
CDK5 Q00535 1/20 0.82
PRKCQ Q04759 1/20 0.82
TAOK1 Q7L7X3 1/20 0.82
CLK4 Q9HAZ1 1/20 0.82
ALK Q9UM73 1/20 0.82

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
SCHEMBL5725742 0.90 CCNT1 (1.00) CDK11ACCNT1CDK9CDK4CCND1
SCHEMBL5726435 0.89 CDK4 (0.82) CDK11ACCNT1CDK9CDK4CCND1
SCHEMBL5726896 0.88 CDK11A (0.75) CDK11ACCNT1CDK9CDK4CCND1
SCHEMBL5726371 0.87 CDK11A (0.80) CDK11ACCNT1CDK9CDK4CCND1
SCHEMBL5726914 0.83 CCNT1 (0.85) CDK11ACCNT1CDK9CDK4CCND1
SCHEMBL5725481 0.81 CDK4 (0.62) CDK11ACCNT1CDK9CDK4CCND1
SCHEMBL5727225 0.81 CDK4 (0.82) CDK11ACCNT1CDK9CDK4CCND1
SCHEMBL5725964 0.80 CDK4 (0.59) CDK11ACCNT1CDK9CDK4CCND1
SCHEMBL5725676 0.80 CDK4 (0.63) CDK11ACCNT1CDK9CDK4CCND1
SCHEMBL5725970 0.80 CCNT1 (0.68) CDK11ACCNT1CDK9CDK4CCND1

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 CDK11A 38/4885CCNT1 19/4885CDK9 8/4885

“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.