SCHEMBL230905

SCHEMBL230905

C1=CN2C=c3ccccc3=CC2c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.36
▸ CCL2 P13500 1/20 0.36
▸ HTR2A P28223 1/20 0.32
▸ ATM Q13315 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
SCHEMBL4958554 0.74 BRD4 (0.37) BRD4CCL2HTR2AATM
SCHEMBL17234511 0.72 BRD4 (0.34) BRD4CCL2ATM
SCHEMBL11348748 0.72 BRD4 (0.41) BRD4CCL2HTR2AATM
SCHEMBL20506900 0.70 ATM (0.38) BRD4CCL2HTR2AATM
SCHEMBL19637760 0.69 BRD4 (0.32) BRD4CCL2
SCHEMBL20506906 0.69 ATM (0.40) BRD4CCL2ATM
SCHEMBL418352 0.68 BRD4 (0.38) BRD4CCL2HTR2AATM
SCHEMBL19452304 0.67 BRD4 (0.35) BRD4CCL2ATM
SCHEMBL18645092 0.66 BRD4 (0.34) BRD4CCL2
SCHEMBL17284105 0.66 BRD4 (0.36) BRD4CCL2HTR2AATM

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
EP-2427460-B1 NOVEL ISOQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-26 — — EP claimed
EP-2427460-A1 NOVEL ISOQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 — — EP claimed
WO-2010128061-A1 NOVEL ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 — — WO claimed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 — — US disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 — — US disclosed
WO-2010128061-A1 NOVEL ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 — — 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-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 BRD4 3413/4885CCL2 3063/4885HTR2A 3216/4885

“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.

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