SCHEMBL7001561

SCHEMBL7001561

O=C(O)C1CCc2cccc3c(=O)[nH]c(=O)n1c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
CCNE2 O96020 2/20 0.38
PRKACA P17612 2/20 0.38
PRKACG P22612 2/20 0.38
PRKACB P22694 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
HDAC6 Q9UBN7 3/20 0.36
PARP1 P09874 2/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ACE P12821 2/20 0.34

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
SCHEMBL7000995 0.79 CDK4 (0.54) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL7003554 0.77 CDK4 (0.38) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL7000502 0.76 CDK4 (0.42) CDK4CCND1CCNE2PRKACAPRKACG
Hydrochloric Acid SCHEMBL7004725 0.75 CDK4 (0.41) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL7000454 0.73 CDK4 (0.40) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL7003131 0.70 CDK4 (0.41) CDK4CCND1CCNE2PRKACAPRKACG
SCHEMBL6999859 0.68 KMT2A (0.50) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7004317 0.68 DUT (0.40) CDK4CCND1CCNE2PRKACAPRKACG
Hydrochloric Acid SCHEMBL7076454 0.68 HDAC6 (0.34) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL7005640 0.68 HTR1A (0.35) CDK4CCND1CCNE2PRKACAPRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105118-A1 Tricyclic quinazolinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-06-05 US disclosed
EP-1288216-A1 TRICYCLIC QUINAZOLINEDIONES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-03-05 EP 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-20030105118-A1 Tricyclic quinazolinediones PARP1, PARP11, PARP2 CDK4 754/4885CCND1 622/4885CCNE2 1006/4885

“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.