SCHEMBL1532280

SCHEMBL1532280

CCC(N)c1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SLC6A4 P31645 1/20 0.34
HSP90AA1 P07900 1/20 0.33
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL15157210 1.00 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15157294 1.00 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL15157444 0.98 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL17574592 0.98 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL30461071 0.98 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL15157109 0.98 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23326080 0.81 TLR8 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6685769 0.78 SLC2A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3525274 0.77 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18774902 0.76 TAAR1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894413-B1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
CN-111032643-B Quinolinone compounds 詹森药业有限公司 2023-05-30 CN disclosed
US-11384075-B2 Quinolinone compounds JANSSEN PHARMACEUTICA NV (BE) 2022-07-12 US disclosed
US-20220017526-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-01-20 US disclosed
US-20210298306-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-09-30 US disclosed
US-20210139470-A1 New Quinolinone Compounds JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2021-05-13 US disclosed
WO-2020123272-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-18 WO disclosed
CN-111032643-A Quinolinone compounds 詹森药业有限公司 2020-04-17 CN disclosed
EP-2809669-B1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-01 EP disclosed
US-8518885-B2 Heterocyclic peptide ketoamides GEORGIA TECH RESEARCH CORPORATION (US) 2013-08-27 US disclosed
US-20110053858-A1 HETEROCYCLIC PEPTIDE KETOAMIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 US disclosed
EP-2252310-A1 HETEROCYCLIC PEPTIDE KETOAMIDES Georgia Tech Research Corporation (US) 2010-11-24 EP disclosed
WO-2009099416-A1 HETEROCYCLIC PEPTIDE KETOAMIDES GEORGIA TECH RESEARCH CORPORATION (US) 2009-08-13 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 (5 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-20210298306-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS DDT, ACHE, CYP51A1 GRIN2D 2887/4885GRIN3B 3255/4885GRIN1 1614/4885
US-20210139470-A1 New Quinolinone Compounds FGFR1, FGFR2, FGFR3 GRIN2D 3343/4885GRIN3B 3365/4885GRIN1 2042/4885
US-20220017526-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE12 GRIN2D 634/4885GRIN3B 635/4885GRIN1 801/4885
US-11384075-B2 Quinolinone compounds FGFR1, FGFR2, FGFR3 GRIN2D 3826/4885GRIN3B 3620/4885GRIN1 2624/4885
US-20110053858-A1 HETEROCYCLIC PEPTIDE KETOAMIDES CAPNS1, CAPN1, CAPN2 GRIN2D 2661/4885GRIN3B 3392/4885GRIN1 1339/4885

“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.