SCHEMBL5011601

SCHEMBL5011601

CCN1C(=O)C(CC)(CC)c2cc(N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.47
ELANE P08246 3/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.38
CNR1 P21554 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
GFER P55789 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PGR P06401 1/20 0.35
CHEK1 O14757 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL13234175 0.85 ATAD2 (0.43) ATAD2ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL12658804 0.84 ALDH1A1 (0.45) ATAD2ALDH1A1KMT2ASMN1; SMN2CYP19A1
SCHEMBL12658849 0.84 ATAD2 (0.42) ATAD2ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL13233745 0.83 PTGDR2 (0.39) ATAD2ELANEALDH1A1GAANPSR1
SCHEMBL13233812 0.83 SCN9A (0.39) ATAD2ELANEALDH1A1KMT2ACYP19A1
SCHEMBL1368159 0.83 ATAD2 (0.48) ATAD2ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL5862203 0.81 ATAD2 (0.47) ATAD2ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL13234059 0.81 ELANE (0.43) ATAD2ELANEALDH1A1KMT2APKM
SCHEMBL14609276 0.81 ATAD2 (0.39) ATAD2ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL4501363 0.81 ELANE (0.37) ATAD2ELANEALDH1A1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919920-B1 PENTACYCLIC KINASE INHIBITORS GENENTECH INC (US) 2011-05-18 EP disclosed
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-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 ATAD2 2249/4885ELANE 4770/4885ALDH1A1 2990/4885
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals RAF1, CHEK1, BRAF ATAD2 2419/4885ELANE 3726/4885ALDH1A1 2759/4885

“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.