SCHEMBL4611053

SCHEMBL4611053

COc1cccc2c1C1Nc3ccc(-c4nncn4C)cc3C(C)(C)C1CS2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TTK P33981 7/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
LRRK2 Q5S007 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
MAP3K5 Q99683 1/20 0.31

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
SCHEMBL4570045 0.83 CLK1 (0.34) CLK1SMN1; SMN2TTKCCNA2CDK2
SCHEMBL4556513 0.82
SCHEMBL4818640 0.82 P2RX3 (0.33)
SCHEMBL4814868 0.80 IMPDH2 (0.33) TTKCCNA2CDK2BRD4CREBBP
SCHEMBL4813632 0.80 CREBBP (0.35) CREBBP
SCHEMBL4815232 0.77 CREBBP (0.37) SMN1; SMN2CREBBP
SCHEMBL4445324 0.77 HDAC4 (0.33) SMN1; SMN2
SCHEMBL4814159 0.77 HDAC4 (0.33) SMN1; SMN2
SCHEMBL4813625 0.77 HCRTR1 (0.38)
SCHEMBL4866034 0.77 NR3C1 (0.35) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 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 (2 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP CLK1 2841/4885SMN1; SMN2 4609/4885TTK 3536/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP CLK1 2841/4885SMN1; SMN2 4609/4885TTK 3536/4885

“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.