SCHEMBL14920658

SCHEMBL14920658

CCOC(=O)c1ccn[c]c1-c1cc[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.44
TSHR P16473 2/20 0.41
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
CASP1 P29466 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 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
SCHEMBL3761439 0.77 TSHR (0.51) TSHRALDH1A1KDM4EKMT2AMEN1
SCHEMBL18228518 0.74
SCHEMBL7360724 0.72 TSHR (0.57) TSHRALDH1A1KDM4EKMT2AMEN1
SCHEMBL8867005 0.72 TSHR (0.49) NUDT1TSHRALDH1A1KDM4ECASP1
SCHEMBL28818892 0.69 CA12 (0.56) NUDT1TSHRALDH1A1KDM4EKMT2A
SCHEMBL4260262 0.68 CYP4F2 (0.52) NUDT1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL561497 0.67 CYP1A2 (0.56) NUDT1TSHRALDH1A1KDM4EKMT2A
SCHEMBL30590601 0.65 HPGD (0.40) NUDT1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL4915757 0.64 CYP1A2 (0.41) NUDT1TSHRALDH1A1KDM4EHSD17B10
SCHEMBL31341048 0.64 RAB9A (0.57) ALDH1A1KDM4EKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145354-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2015-09-29 US disclosed
US-20150051199-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-19 US disclosed
EP-2773615-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2014-09-10 EP disclosed
WO-2013064543-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-10 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 (1 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-20150051199-A1 PHARMACEUTICAL COMPOUNDS NR1H4, HAVCR2, NR1H3 NUDT1 1123/4885TSHR 99/4885ALDH1A1 3105/4885

“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.