SCHEMBL2370955

SCHEMBL2370955

CCOC(=O)C(C(=O)OCC)C(C)Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TBXAS1 P24557 2/20 0.48
FDPS P14324 1/20 0.48
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2420345 0.87 TBXAS1 (0.56) ALDH1A1TBXAS1FDPSKMT2APKM
SCHEMBL30178281 0.87 TBXAS1 (0.56) ALDH1A1TBXAS1FDPSKMT2APKM
SCHEMBL7345369 0.85 MMP8 (0.52) ALDH1A1TBXAS1FDPSKMT2APKM
SCHEMBL27231790 0.85 ALDH1A1 (0.51) ALDH1A1TBXAS1FDPSKMT2APKM
SCHEMBL27224527 0.84 TBXAS1 (0.47) ALDH1A1TBXAS1FDPSKMT2APKM
SCHEMBL18039180 0.84 CYP1A2 (0.50) ALDH1A1TBXAS1FDPSKMT2APKM
SCHEMBL3949678 0.82 MMP8 (0.54) ALDH1A1TBXAS1FDPSKMT2APKM
SCHEMBL7337155 0.82 FDPS (0.48) ALDH1A1TBXAS1FDPSKMT2APKM
SCHEMBL20543866 0.82 FDPS (0.48) ALDH1A1TBXAS1FDPSKMT2APKM
SCHEMBL21947585 0.82 FDPS (0.48) ALDH1A1TBXAS1FDPSKMT2APKM

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 ALDH1A1 2914/4885TBXAS1 793/4885FDPS 3384/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 ALDH1A1 2914/4885TBXAS1 793/4885FDPS 3384/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 ALDH1A1 2914/4885TBXAS1 793/4885FDPS 3384/4885

“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.