SCHEMBL5007572

SCHEMBL5007572

COC(=O)CN1C(=O)C(C)(C)c2cc(N)ccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRL1 P41146 11/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL31702288 0.90 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AOPRL1GAA
SCHEMBL16315850 0.85 TP53 (0.54) ALDH1A1MEN1KMT2AGAA
SCHEMBL30642149 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AOPRL1GAA
SCHEMBL26640417 0.84 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL26640048 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AOPRL1GAA
SCHEMBL30642153 0.84 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL14401667 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AOPRL1GAA
SCHEMBL31251150 0.82 PTGDR2 (0.47) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL14876087 0.81 ANPEP (0.47) ALDH1A1KMT2AOPRL1
SCHEMBL13233697 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AOPRL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749994-B2 Pentacyclic kinase inhibitors GENENTECH, INC. (US) 2010-07-06 US disclosed
US-7749994-B2 Pentacyclic kinase inhibitors GENENTECH, INC. (US) 2010-07-06 US disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
US-20080318989-A1 Pyrimidine Kinase Inhibitors GENENTECH, INC. 2008-12-25 US disclosed
EP-1968950-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2008-09-17 EP disclosed
WO-2007120339-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2007-10-25 WO disclosed
WO-2007022102-A2 PENTACYCLIC KINASE INHIBITORS GENENTECH, INC. (US) 2007-02-22 WO disclosed
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals HOFFMAN-LAROUCHE, INC. 2007-02-15 US disclosed
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals HOFFMAN-LAROUCHE, INC. 2007-02-15 US 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-20080318989-A1 Pyrimidine Kinase Inhibitors DCK, DTYMK, TK1 ALDH1A1 2990/4885MEN1 2188/4885KMT2A 1017/4885
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals RAF1, CHEK1, BRAF ALDH1A1 2759/4885MEN1 1193/4885KMT2A 981/4885

“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.