SCHEMBL6630855

SCHEMBL6630855

Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)sc1C(=O)c1c(F)cccc1F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
CDK5 Q00535 4/20 0.57
CDK5R1 Q15078 4/20 0.57
CCNT1 O60563 2/20 0.56
CDK4 P11802 2/20 0.56
CCND1 P24385 2/20 0.56
CDK9 P50750 2/20 0.56
CDK6 Q00534 2/20 0.56
CDK11A Q9UQ88 2/20 0.56
CHRNA7 P36544 8/20 0.55
CCNA2 P20248 3/20 0.54
CDK2 P24941 3/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL6197557 0.84 CCNA2 (0.57) MAPTCDK5CDK5R1CCNT1CDK4
SCHEMBL6681628 0.83 CCNA2 (0.67) MAPTCDK5CDK5R1CCNT1CDK4
SCHEMBL6634024 0.83 CHRNA7 (0.51) MAPTCDK5CDK5R1CCNT1CDK4
SCHEMBL6361686 0.83 CCNT1 (0.65) MAPTCDK5CDK5R1CCNT1CDK4
SCHEMBL6632660 0.82 CDK5 (0.60) MAPTCDK5CDK5R1CCNT1CDK4
SCHEMBL1250645 0.82 CDK2 (0.72) MAPTCDK5CDK5R1CCNT1CDK4
SCHEMBL5727020 0.79 CCNT1 (0.66) MAPTCDK5CDK5R1CCNT1CDK4
SCHEMBL6309875 0.79 CCNT1 (0.58) MAPTCDK5CDK5R1CCNT1CDK4
SCHEMBL6632625 0.79 CDK2 (0.52) MAPTCDK5CDK5R1CCNT1CDK4
SCHEMBL6191533 0.79 CCNA2 (0.63) CDK5CDK5R1CCNT1CDK4CCND1

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 MAPT 2205/4885CDK5 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.