SCHEMBL6631335

SCHEMBL6631335

CCOC(=O)c1ccc(Nc2nc(N)c(C(=O)c3ccccc3F)s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.66
CDK5R1 Q15078 7/20 0.66
CDK2 P24941 5/20 0.60
GSK3B P49841 3/20 0.60
MAPT P10636 5/20 0.59
TP53 P04637 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
CCNA2 P20248 4/20 0.55
DHODH Q02127 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPC1 O15118 5/20 0.54
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 3/20 0.52
CLK1 P49759 1/20 0.52
GSK3A P49840 2/20 0.52
MAPK14 Q16539 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL6360398 0.89 CCNT1 (0.60) CDK5CDK5R1CDK2GSK3BMAPT
SCHEMBL3817965 0.87 CCNA2 (0.70) CDK5CDK5R1CDK2GSK3BMAPT
SCHEMBL23929869 0.86 MEN1 (0.73) CDK5CDK5R1CDK2GSK3BMAPT
SCHEMBL6781484 0.86 MAPT (0.58) CDK5CDK5R1CDK2GSK3BMAPT
SCHEMBL6635588 0.86 CCNA2 (0.57) CDK5CDK5R1CDK2GSK3BMAPT
SCHEMBL6632186 0.85 CCNT1 (0.56) CDK5CDK5R1CDK2GSK3BMAPT
SCHEMBL5725961 0.85 CCNA2 (0.68) CDK5CDK5R1CDK2GSK3BMAPT
SCHEMBL6633742 0.84 CDK5 (0.76) CDK5CDK5R1CDK2GSK3BMAPT
SCHEMBL6633778 0.84 DHODH (0.58) CDK5CDK5R1CDK2GSK3BMAPT
SCHEMBL31415161 0.83 CDK5 (0.80) CDK5CDK5R1CDK2GSK3BMAPT

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 CDK5 46/4885CDK5R1 223/4885CDK2 4/4885

“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.