SCHEMBL344216

SCHEMBL344216

CN(C)c1ccn2ccc(C#N)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.36
TLR7 Q9NYK1 2/20 0.33
ALDH1A1 P00352 6/20 0.33
HTT P42858 1/20 0.32
MAPT P10636 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 4/20 0.31
HSD17B10 Q99714 2/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.31
APP P05067 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL10123575 0.76 MAOA (0.35) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL10123651 0.73 CDC7 (0.33) ALDH1A1KDM4EGAA
SCHEMBL344208 0.71 KDM4E (0.43) ALDH1A1HTTMAPTKDM4EHSD17B10
SCHEMBL10123632 0.71 ALDH1A1 (0.34) ALDH1A1KDM4EHPGD
SCHEMBL10123594 0.71 CYP2A6 (0.38) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL10123639 0.71 KIF11 (0.35) ALDH1A1HTTMAPTKDM4EHSD17B10
SCHEMBL10123635 0.69 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA3
SCHEMBL10123650 0.69 MEN1 (0.38) ALDH1A1MAPTKDM4E
SCHEMBL343412 0.68 CA2 (0.37) ALDH1A1KDM4EGAATSHR
SCHEMBL343188 0.68 CSNK2A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102365281-B Indolizine derivative and medical application thereof KISSEI PHARMACEUTICAL 2014-11-12 CN disclosed
US-8748452-B2 Indolizine derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-10 US disclosed
EP-2415771-B1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
EP-2415771-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-01-19 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 (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-20120015972-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, INMT, PON1 TLR9 2033/4885TLR7 942/4885ALDH1A1 397/4885

“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.