SCHEMBL7900977

SCHEMBL7900977

CC1(C)OB(c2ccnc3cc(C#N)ccc23)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 2/20 0.41
RIPK2 O43353 2/20 0.41
COQ8A Q8NI60 2/20 0.41
NLK Q9UBE8 2/20 0.41
AAK1 Q2M2I8 3/20 0.33
SLC22A12 Q96S37 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK3 O43781 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
STK17A Q9UEE5 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
SCN9A Q15858 3/20 0.32
ACVR1 Q04771 2/20 0.32
ESR2 Q92731 1/20 0.32
EGFR P00533 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL2512339 0.89 GAK (0.41) GAKRIPK2COQ8ANLKSLC22A12
SCHEMBL17144060 0.79 LPL (0.41) GAKAAK1CCNCCDK8CLK4
SCHEMBL7915830 0.79 NR4A2 (0.47) EGFR
SCHEMBL16112595 0.79 TLR8 (0.42) RIPK2ESR2EGFR
SCHEMBL30543183 0.79 NR4A2 (0.47) EGFR
SCHEMBL13282636 0.79 EGFR (0.35) EGFR
SCHEMBL23911019 0.77 HTR1A (0.48) GAKRIPK2COQ8ANLKEGFR
SCHEMBL30682050 0.77 HTR1A (0.48) GAKRIPK2COQ8ANLKEGFR
SCHEMBL16112441 0.76 MAOA (0.36) SLC22A12DYRK1AACVR1ESR2EGFR
SCHEMBL17144782 0.76 ADRB2 (0.42) GAKRIPK2AAK1GSK3AGSK3B

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
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS INC (US) 2021-10-14 US disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 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-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 GAK 1320/4885RIPK2 599/4885COQ8A 2889/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D GAK 3920/4885RIPK2 3537/4885COQ8A 211/4885

“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.