SCHEMBL6632876

SCHEMBL6632876

CCOC(=O)c1ccc(Nc2nc(N)c(C(=O)c3cnccc3C)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.59
CDK5 Q00535 9/20 0.54
CDK5R1 Q15078 9/20 0.54
CCNA2 P20248 4/20 0.53
CDK2 P24941 4/20 0.53
NPC1 O15118 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.52
RXFP1 Q9HBX9 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ZAP70 P43403 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
SCHEMBL6633549 0.87 CCNA2 (0.69) CDK5CDK5R1CCNA2CDK2NPC1
SCHEMBL3817965 0.82 CCNA2 (0.70) DHODHCDK5CDK5R1CCNA2CDK2
SCHEMBL6631335 0.82 CDK5 (0.66) DHODHCDK5CDK5R1CCNA2CDK2
SCHEMBL6631481 0.81 DHODH (0.60) DHODHCDK5CDK5R1CCNA2CDK2
SCHEMBL23929869 0.81 MEN1 (0.73) DHODHCDK5CDK5R1CCNA2CDK2
SCHEMBL4472482 0.81 MEN1 (0.81) DHODHCDK5CDK5R1CCNA2CDK2
SCHEMBL5725961 0.80 CCNA2 (0.68) DHODHCDK5CDK5R1CCNA2CDK2
SCHEMBL6635588 0.79 CCNA2 (0.57) DHODHCDK5CDK5R1CCNA2CDK2
SCHEMBL6781484 0.79 MAPT (0.58) DHODHCDK5CDK5R1CCNA2CDK2
SCHEMBL5726504 0.78 CCNT1 (0.64) DHODHCDK5CDK5R1CCNA2CDK2

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 DHODH 203/4885CDK5 46/4885CDK5R1 223/4885

“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.