SCHEMBL5045601

SCHEMBL5045601

CC(C)(C)OC(=O)Nc1ncc(CC(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CCNE1 P24864 5/20 0.44
CDK2 P24941 5/20 0.44
CCNE2 O96020 3/20 0.44
CCNB2 O95067 2/20 0.44
CDK1 P06493 2/20 0.44
CDK4 P11802 2/20 0.44
CCNB1 P14635 2/20 0.44
CCND1 P24385 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
CDK5 Q00535 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
SCD O00767 1/20 0.42
OGA O60502 2/20 0.41
HTT P42858 1/20 0.41
PARG Q86W56 1/20 0.41

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
SCHEMBL14095608 0.88 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2CCNE1CDK2
SCHEMBL10233485 0.86 SCD (0.44) ALDH1A1TSHRSMN1; SMN2CCNE1CDK2
SCHEMBL8834765 0.86 CCNE1 (0.52) ALDH1A1TSHRSMN1; SMN2CCNE1CDK2
SCHEMBL1031633 0.86 SMN1; SMN2 (0.47) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL15839429 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL28148958 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL29170444 0.84 CA1 (0.47) SMN1; SMN2CCNE1CDK2CCNE2CCNB2
SCHEMBL21222206 0.84 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2CCNE1CDK2
SCHEMBL21229046 0.84 SMN1; SMN2 (0.43) ALDH1A1TSHRSMN1; SMN2CCNE1CDK2
SCHEMBL12725091 0.83 FDPS (0.49) ALDH1A1TSHRSMN1; SMN2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 ALDH1A1 1630/4885TSHR 2810/4885SMN1; SMN2 1989/4885

“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.