SCHEMBL2370593

SCHEMBL2370593

CCOC(=O)C(C(=O)OCC)C(C)Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
CDC7 O00311 5/20 0.42
DBF4 Q9UBU7 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
NAMPT P43490 4/20 0.42
MAPT P10636 2/20 0.41
MMP8 P22894 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ACACB O00763 1/20 0.40
MAOB P27338 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
SCHEMBL2958476 0.85 ALDH1A1 (0.50) CYP19A1CDC7DBF4ALDH1A1CYP3A4
SCHEMBL6640643 0.83 CPB2 (0.46) CYP19A1CDC7DBF4ALDH1A1NAMPT
SCHEMBL2672559 0.83 MMP8 (0.54) CYP19A1CDC7DBF4ALDH1A1NAMPT
SCHEMBL27231825 0.83 CYP19A1 (0.42) CYP19A1CDC7DBF4ALDH1A1CYP3A4
SCHEMBL27231867 0.82 CYP19A1 (0.44) CYP19A1CDC7DBF4ALDH1A1CYP3A4
SCHEMBL2370955 0.81 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1GAAKMT2A
SCHEMBL5314193 0.81 CYP1A2 (0.48) CYP19A1CDC7DBF4ALDH1A1CYP3A4
SCHEMBL27231720 0.80 EPHX2 (0.52) CYP19A1CDC7DBF4NAMPTKMT2A
SCHEMBL6497419 0.80 CYP19A1 (0.42) CYP19A1CDC7DBF4ALDH1A1CYP3A4
SCHEMBL971944 0.79 MMP8 (0.50) CYP19A1CDC7DBF4ALDH1A1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 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 (3 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 CYP19A1 1236/4885CDC7 114/4885DBF4 3397/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 CYP19A1 1236/4885CDC7 114/4885DBF4 3397/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 CYP19A1 1236/4885CDC7 114/4885DBF4 3397/4885

“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.