SCHEMBL6635378

SCHEMBL6635378

CC(C)(C)OC(=O)c1ccc(Nc2nc(N)c(C(=O)c3c(F)cccc3F)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.60
CDK4 P11802 3/20 0.60
CCND1 P24385 3/20 0.60
CDK9 P50750 3/20 0.60
CDK6 Q00534 3/20 0.60
CDK11A Q9UQ88 3/20 0.60
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 4/20 0.55
CCNA2 P20248 4/20 0.53
CDK2 P24941 4/20 0.53
CDK5 Q00535 10/20 0.53
CDK5R1 Q15078 10/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 2/20 0.51
CLK1 P49759 1/20 0.51
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
MAPK14 Q16539 1/20 0.50

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
SCHEMBL6677651 0.90 CDK5 (0.59) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL6632572 0.88 CCNT1 (0.64) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL6360398 0.86 CCNT1 (0.60) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL6631823 0.85 CCNT1 (0.54) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL5727020 0.85 CCNT1 (0.66) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL6631825 0.85 CCNT1 (0.53) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL6361686 0.84 CCNT1 (0.65) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL1250645 0.81 CDK2 (0.72) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL5726145 0.81 CDK4 (0.75) CCNT1CDK4CCND1CDK9CDK6
SCHEMBL14722215 0.81 CCNT1 (0.57) CCNT1CDK4CCND1CDK9CDK6

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 CCNT1 19/4885CDK4 7/4885CCND1 53/4885

“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.