SCHEMBL5042192

SCHEMBL5042192

CC(C)(C)OC(=O)Nc1ncc(CC(=O)Nc2ccccc2F)s1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
CDK5 Q00535 2/20 0.46
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
GLS O94925 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PARG Q86W56 1/20 0.40
ABL1 P00519 1/20 0.40
HTT P42858 1/20 0.40
SCD O00767 1/20 0.39

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
SCHEMBL27618658 0.91 CCNE1 (0.41) CCNE1CDK2CDK5NPC1SMN1; SMN2
SCHEMBL5045023 0.81 AURKA (0.52) CCNE1CDK2CDK5SMN1; SMN2L3MBTL1
SCHEMBL27618657 0.80 RAB9A (0.40) NPC1SMN1; SMN2RAB9AL3MBTL1POLB
SCHEMBL27618606 0.78 RAB9A (0.42) NPC1SMN1; SMN2RAB9AL3MBTL1POLB
SCHEMBL5045601 0.78 ALDH1A1 (0.45) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL14095608 0.77 ALDH1A1 (0.53) CCNE1CDK2CDK5SMN1; SMN2L3MBTL1
SCHEMBL661640 0.76 RAB9A (0.56) NPC1SMN1; SMN2RAB9APOLBALDH1A1
SCHEMBL1031633 0.75 SMN1; SMN2 (0.47) CCNE1CDK2CDK5SMN1; SMN2MAPK1
SCHEMBL8834765 0.75 CCNE1 (0.52) CCNE1CDK2CDK5SMN1; SMN2ALDH1A1
SCHEMBL1939044 0.74 CA1 (0.45) CCNE1CDK2CDK5SMN1; SMN2MAPK1

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
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
CN-1753889-A Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-29 CN 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 CCNE1 1042/4885CDK2 138/4885CDK5 393/4885

“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.