SCHEMBL5725673

SCHEMBL5725673

CC(=O)c1ccc(Nc2nc(N)c(C(=O)c3ccccc3[N+](=O)[O-])s2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 13/20 0.75
CDK2 P24941 13/20 0.75
CDK5 Q00535 8/20 0.75
CDK5R1 Q15078 8/20 0.75
CDK1 P06493 3/20 0.75
CCNB1 P14635 3/20 0.75
CDK9 P50750 3/20 0.75
CDK4 P11802 2/20 0.75
CCND1 P24385 2/20 0.75
CCNE1 P24864 2/20 0.75
CCNA1 P78396 2/20 0.75
CDK3 Q00526 2/20 0.75
GSK3B P49841 2/20 0.75
CCNK O75909 1/20 0.75
CDK6 Q00534 1/20 0.75
CCNT1 O60563 2/20 0.55
CDK7 P50613 2/20 0.55
CCNH P51946 1/20 0.55
MNAT1 P51948 1/20 0.55
CCNT2 O60583 1/20 0.55

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
SCHEMBL5725679 0.91 CCNA2 (0.76) CCNA2CDK2CDK5CDK5R1CDK1
SCHEMBL7757514 0.89 CDK2 (0.80) CCNA2CDK2CDK5CDK5R1CDK1
SCHEMBL5725961 0.87 CCNA2 (0.68) CCNA2CDK2CDK5CDK5R1CDK1
SCHEMBL27462597 0.85 CDK2 (0.71) CCNA2CDK2CDK5CDK5R1CDK1
SCHEMBL8111598 0.84 CDK2 (0.72) CCNA2CDK2CDK5CDK5R1CDK1
SCHEMBL27462598 0.84 CDK2 (0.69) CCNA2CDK2CDK5CDK5R1CDK1
SCHEMBL5724705 0.76 CCNA2 (0.78) CCNA2CDK2CDK5CDK5R1GSK3B
SCHEMBL5727092 0.76 CCNA2 (0.78) CCNA2CDK2CDK5CDK5R1CDK1
SCHEMBL1250529 0.75 NPC1 (0.72) CCNA2CDK2CDK5CDK5R1GSK3B
SCHEMBL27477439 0.75 CCNA2 (0.55) CCNA2CDK2CDK5CDK5R1CDK1

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 CCNA2 24/4885CDK2 1/4885CDK5 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.