SCHEMBL7058746

SCHEMBL7058746

Cn1cc(C2=C(c3c[nH]c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 4/20 0.71
CDK4 P11802 4/20 0.71
CCND1 P24385 4/20 0.71
CCNE1 P24864 4/20 0.71
CDK2 P24941 4/20 0.71
PRKACA P17612 2/20 0.71
PRKACG P22612 2/20 0.71
PRKACB P22694 2/20 0.71
CAMK2D Q13557 1/20 0.62
CCNT1 O60563 1/20 0.53
PIM1 P11309 1/20 0.53
CDK9 P50750 1/20 0.53

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
SCHEMBL6424023 0.92 CDK4 (0.71) CCNE2CDK4CCND1CCNE1CDK2
Enmd-981693 SCHEMBL608128 0.88 CCNE2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
Enmd-981693 SCHEMBL29350364 0.88 CCNE2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7496386 0.86 CDK4 (0.55) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8167814 0.86 CCNE2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL9087198 0.85 CDK4 (0.67) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7822250 0.83 CDK4 (1.00) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL16934843 0.83 CCNE2 (1.00) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL668748 0.82 CCNE2 (0.57) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL7599053 0.82 CCNE2 (0.51) CCNE2CDK4CCND1CCNE1CDK2

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-1366040-B1 AMORPHOUS FORM OF CELL CYCLE INHIBITOR HOFFMANN LA ROCHE (CH) 2009-11-04 EP disclosed
EP-1441772-A2 POLYMER CONJUGATES OF PROTEIN KINASE C INHIBITORS Nektar Therapeutics Al, Corporation (US) 2004-08-04 EP disclosed
US-20030143185-A1 Polymer conjugates of protein kinase C inhibitors SHEARWATER CORPORATION 2003-07-31 US disclosed
WO-2003037384-A2 POLYMER CONJUGATES OF PROTEIN KINASE C INHIBITORS NEKTAR THERAPEUTICS AL, CORPORATION (US) 2003-05-08 WO disclosed
EP-1064279-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F.HOFFMANN-LA ROCHE AG (CH) 2001-01-03 EP disclosed
WO-1999047518-A1 SUBSTITUTED BISINDOLYMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-09-23 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-20030143185-A1 Polymer conjugates of protein kinase C inhibitors PRKCH, PRKCI, PRKCA CCNE2 2502/4885CDK4 387/4885CCND1 2154/4885

“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.