SCHEMBL6635588

SCHEMBL6635588

CCOC(=O)c1ccc(Nc2nc(N)c(C(=O)c3ccccc3S(C)(=O)=O)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.57
CDK2 P24941 10/20 0.57
MAPT P10636 5/20 0.56
TP53 P04637 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
DHODH Q02127 1/20 0.52
CDK5 Q00535 5/20 0.51
CDK5R1 Q15078 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 3/20 0.51
LMNA P02545 1/20 0.51
GSK3B P49841 2/20 0.49
CCNK O75909 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK9 P50750 1/20 0.49

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
SCHEMBL6633334 0.86 CCNA2 (0.59) CCNA2CDK2MAPTTP53RXFP1
SCHEMBL6631335 0.86 CDK5 (0.66) CCNA2CDK2MAPTTP53RXFP1
SCHEMBL3817965 0.84 CCNA2 (0.70) CCNA2CDK2MAPTDHODHCDK5
SCHEMBL6781484 0.83 MAPT (0.58) CCNA2CDK2MAPTTP53RXFP1
SCHEMBL5725961 0.83 CCNA2 (0.68) CCNA2CDK2MAPTTP53RXFP1
SCHEMBL5725174 0.81 CCNA2 (0.78) CCNA2CDK2MEN1KMT2ANPC1
SCHEMBL23929869 0.79 MEN1 (0.73) CCNA2CDK2MAPTTP53DHODH
SCHEMBL4472482 0.79 MEN1 (0.81) CCNA2CDK2MAPTDHODHCDK5
SCHEMBL6632876 0.79 DHODH (0.59) CCNA2CDK2MAPTTP53RXFP1
SCHEMBL5726504 0.79 CCNT1 (0.64) CCNA2CDK2MAPTTP53RXFP1

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
EP-1438046-A4 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2004-10-20 EP disclosed
EP-1438046-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2004-07-21 EP disclosed
US-6720346-B2 (4-AMINOTHIAZOL-2-YLAMINO)-BENZAMIDE COMPOUNDS; PROTEIN KINASE INHIBITORS; CANCER; AUTOIMMUNE, VIRAL, FUNGAL, NEURODEGENERATIVE, AND CARDIOVASCULAR DISORDERS AGOURON PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use AGOURON PHARMACEUTICALS INC. 2003-12-04 US disclosed
WO-2003004467-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2003-01-16 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-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use TK1, MKI67, CDKN1A CCNA2 81/4885CDK2 4/4885MAPT 2205/4885

“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.