SCHEMBL112848

SCHEMBL112848

CCc1cn2c(n1)CNCC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.44
CD274 Q9NZQ7 2/20 0.44
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HDAC2 Q92769 3/20 0.34
MGLL Q99685 3/20 0.34
HDAC1 Q13547 2/20 0.34
SOD3 P08294 2/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CXCR4 P61073 2/20 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
SCHEMBL15882090 0.84 PDCD1 (0.45) PDCD1CD274TLR9TLR8TLR7
SCHEMBL7011116 0.83 PDCD1 (0.42) PDCD1CD274TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL29721354 0.83 PDCD1 (0.44) PDCD1CD274TLR9TLR8TLR7
SCHEMBL2752951 0.78 CXCR4 (0.42) PDCD1CD274MGLLCXCR4
SCHEMBL107873 0.77 PDCD1 (0.50) PDCD1CD274TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL2339479 0.76 CXCR4 (0.41) PDCD1CD274CXCR4
SCHEMBL15882118 0.75 CXCR4 (0.46) PDCD1CD274CXCR4
SCHEMBL19741695 0.74 PDCD1 (0.35) PDCD1CD274MGLLCXCR4
SCHEMBL13455831 0.73 WDR5 (0.46)
SCHEMBL15933517 0.73 PDCD1 (0.43) PDCD1CD274TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US disclosed
WO-2017007755-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2017-01-12 WO disclosed
EP-2424867-B1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2013-09-18 EP disclosed
US-8513248-B2 5,6,7,8-tetrahydroimidazo[1,2-A]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-20 US disclosed
US-8513248-B2 5,6,7,8-tetrahydroimidazo[1,2-A]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-20 US disclosed
US-8513248-B2 5,6,7,8-tetrahydroimidazo[1,2-A]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-20 US disclosed
US-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
US-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
US-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
EP-2424867-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
WO-2010125101-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125101-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 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 (3 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-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 PDCD1 3029/4885CD274 3302/4885TLR9 2521/4885
US-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 PDCD1 4494/4885CD274 3515/4885TLR9 725/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 PDCD1 545/4885CD274 724/4885TLR9 956/4885

“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.