SCHEMBL4725352

SCHEMBL4725352

COc1cc(N)c2ncccc2c1C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.59
CASP6 P55212 2/20 0.59
G6PD P11413 1/20 0.59
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
NPY1R P25929 1/20 0.38
PDE4D Q08499 3/20 0.37
MEN1 O00255 3/20 0.36
HSP90AA1 P07900 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL5086649 0.99 NSD2 (0.58) NSD2CASP6G6PDCDK1CDK4
SCHEMBL4729833 0.79 KDM4E (0.44) CASP6PDE4DMEN1HSP90AA1KMT2A
SCHEMBL4726151 0.79 PDE3B (0.40) NSD2CASP6G6PDCDK1CDK4
SCHEMBL2268383 0.79 NSD2 (0.70) NSD2CASP6G6PDNPY1RMEN1
SCHEMBL5080672 0.78 KDM4E (0.46) CASP6PDE4DMEN1HSP90AA1KMT2A
SCHEMBL4729342 0.78 PDE3B (0.39) NSD2CASP6G6PDCDK1CDK4
SCHEMBL8627392 0.77 NSD2 (0.72) NSD2CASP6G6PDNPY1RPDE4D
SCHEMBL423613 0.76 CASP6 (0.70) NSD2CASP6G6PDNPY1RMEN1
SCHEMBL2274037 0.75 NSD2 (1.00) NSD2CASP6G6PDNPY1RMEN1
SCHEMBL12192928 0.75 NSD2 (0.68) NSD2CASP6G6PDNPY1RPDE4D

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
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-6979740-B2 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2005-12-27 US disclosed
EP-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP disclosed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO disclosed
US-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) 2004-09-30 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-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents QDPR, SLC11A2, CYP2C8 NSD2 2330/4885CASP6 612/4885G6PD 4/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN NSD2 1540/4885CASP6 897/4885G6PD 1283/4885

“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.