SCHEMBL15829328

SCHEMBL15829328

CC(C)(C)c1cc2c(C#N)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
DYRK1A Q13627 3/20 0.39
CLK1 P49759 2/20 0.39
KIF11 P52732 3/20 0.37
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAP2K1 Q02750 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL30265966 0.81 GAA (0.46) NR3C1PGRNR3C2DYRK1ACLK1
SCHEMBL5729594 0.81 GAA (0.46) NR3C1PGRNR3C2DYRK1ACLK1
SCHEMBL26262532 0.75 KDM4E (0.38) NR3C1PGRNR3C2KDM4EALDH1A1
SCHEMBL24974318 0.75 KIF11 (0.53) KIF11KDM4EALDH1A1GAAHPGD
SCHEMBL15829262 0.75 DAO (0.50) KIF11KDM4EALDH1A1GAAHPGD
SCHEMBL24453539 0.75 NR3C1 (0.45) NR3C1PGRNR3C2DYRK1ACLK1
SCHEMBL12755282 0.74 IMPDH2 (0.43) KIF11IMPDH2IMPDH1KDM4EALDH1A1
SCHEMBL15829264 0.74 DAO (0.49) KIF11KDM4EGAACYP1A2
SCHEMBL15829355 0.74 PARP1 (0.42) KIF11KDM4EALDH1A1GAAHPGD
SCHEMBL28813546 0.74 DYRK1A (0.41) NR3C1PGRNR3C2DYRK1ACLK1

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
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 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 (6 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 NR3C1 2333/4885PGR 4441/4885NR3C2 1215/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 NR3C1 2333/4885PGR 4441/4885NR3C2 1215/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 NR3C1 2333/4885PGR 4441/4885NR3C2 1215/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 NR3C1 2333/4885PGR 4441/4885NR3C2 1215/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 NR3C1 2333/4885PGR 4441/4885NR3C2 1215/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 NR3C1 2328/4885PGR 4462/4885NR3C2 1193/4885

“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.