SCHEMBL5875829

SCHEMBL5875829

CC(C)c1cnc(NC(=O)[CH]CCC(N)=O)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.55
CCNE1 P24864 7/20 0.55
CDK5 Q00535 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
CDK1 P06493 2/20 0.49
CDK4 P11802 2/20 0.49
CCNB1 P14635 2/20 0.49
CCND1 P24385 2/20 0.49
CCNT1 O60563 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK7 P50613 1/20 0.49
CDK9 P50750 1/20 0.49
CCNH P51946 1/20 0.49
MNAT1 P51948 1/20 0.49
CDK5R1 Q15078 1/20 0.49
FDPS P14324 1/20 0.43
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42

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
SCHEMBL5875690 0.83 NPC1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL27574298 0.77 CDK2 (0.71) CDK2CCNE1CDK5SMN1; SMN2CDK1
Hydrochloric Acid SCHEMBL27569438 0.73 CDK2 (0.64) CDK2CCNE1CDK5SMN1; SMN2CDK1
SCHEMBL681610 0.73 CDK2 (0.73) CDK2CCNE1CDK5SMN1; SMN2CDK1
SCHEMBL5835819 0.72 CDK2 (0.63) CDK2CCNE1CDK5SMN1; SMN2CDK1
SCHEMBL13436514 0.72 CDK2 (0.67) CDK2CCNE1CDK5SMN1; SMN2CDK1
SCHEMBL6193347 0.72 CDK2 (0.77) CDK2CCNE1CDK5SMN1; SMN2CDK1
SCHEMBL5875675 0.71 RAB9A (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5836043 0.71 CDK2 (0.61) CDK2CCNE1CDK5SMN1; SMN2CDK1
SCHEMBL5835907 0.71 CDK2 (0.61) CDK2CCNE1CDK5SMN1; SMN2CDK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006504796-A 2006-02-09 JP claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US claimed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US disclosed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP CDK2 1792/4885CCNE1 1853/4885CDK5 506/4885

“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.