SCHEMBL6633742

SCHEMBL6633742

Nc1nc(Nc2ccc(C(=O)O)cc2)sc1C(=O)c1ccccc1F

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.76
CDK5R1 Q15078 8/20 0.76
CDK2 P24941 9/20 0.68
GSK3B P49841 2/20 0.68
CCNA2 P20248 8/20 0.66
NPC1 O15118 4/20 0.62
MAPT P10636 4/20 0.62
RAB9A P51151 2/20 0.62
GSK3A P49840 1/20 0.62
MAPK14 Q16539 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 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
SCHEMBL31415161 0.90 CDK5 (0.80) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL25609553 0.90 CDK5 (0.80) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL6361686 0.87 CCNT1 (0.65) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL4473692 0.86 CCNA2 (0.85) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL6192679 0.84 CDK2 (0.77) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL6631335 0.84 CDK5 (0.66) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL6633334 0.83 CCNA2 (0.59) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL6632660 0.83 CDK5 (0.60) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL5725679 0.83 CCNA2 (0.76) CDK5CDK5R1CDK2GSK3BCCNA2
SCHEMBL6632995 0.83 CCNA2 (0.59) CDK5CDK5R1CDK2GSK3BCCNA2

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.