SCHEMBL7213728

SCHEMBL7213728

CCCCc1ccc(C#N)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP19A1 P11511 7/20 0.43
PANK3 Q9H999 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
IDO1 P14902 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL23019527 0.95 KDM4E (0.51) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL29313158 0.93 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL18882595 0.93 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL7219997 0.89 CYP19A1 (0.45) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8167780 0.81 HSD17B10 (0.63) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL17225131 0.81 HSD17B10 (0.63) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL2633134 0.81 CYP2A6 (0.48) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL31354 0.79 KDM4E (0.44) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL17843180 0.78 ACACB (0.42) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8569361 0.78 FFAR1 (0.41) KDM4EALDH1A1HPGDL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203459-B1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2016-03-16 EP disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-8901112-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-8476261-B2 Spirocyclic aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-02-10 US disclosed
WO-2009035684-A1 SPIROCYCLIC AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2009-03-19 WO disclosed
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP 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-20110034436-A1 SPIROCYCLIC AMINOQUINOLNES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP KDM4E 3429/4885ALDH1A1 3553/4885HPGD 2252/4885

“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.