SCHEMBL10027329

SCHEMBL10027329

Cc1nc2c(C)ccc(C)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.52
PARP1 P09874 2/20 0.46
CSNK2A1 P68400 2/20 0.45
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL22990169 0.83 ADORA3 (0.45) ADORA3PARP1CSNK2A1ADORA1ADORA2A
SCHEMBL13184299 0.83 ADORA3 (0.45) ADORA3PARP1CSNK2A1ADORA1ADORA2A
SCHEMBL21263170 0.83 ADORA3 (0.45) ADORA3PARP1CSNK2A1ADORA1ADORA2A
SCHEMBL14771418 0.81 MGAM (0.38)
SCHEMBL12052973 0.80 ADORA3 (0.42) ADORA3PARP1CSNK2A1ADORA1ADORA2A
SCHEMBL16382693 0.78 ALDH1A1 (0.42) ADORA3PARP1CSNK2A1ADORA1ADORA2A
SCHEMBL5924180 0.77 CSNK2A2 (0.42) CSNK2A1
SCHEMBL4561883 0.77 NPC1 (0.36)
SCHEMBL16382712 0.76 PARP1 (0.54) ADORA3PARP1
SCHEMBL22761577 0.74 ADORA3 (0.38) ADORA3ADORA1ADORA2A

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9104101-B2 Resist composition, method of forming resist pattern and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2015-08-11 US disclosed
US-9104101-B2 Resist composition, method of forming resist pattern and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2015-08-11 US disclosed
US-8574809-B2 Positive resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2013-11-05 US disclosed
US-8574809-B2 Positive resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2013-11-05 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-8536280-B2 Star polymer and coupling agent for anionic polymerization TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 2013-09-17 US disclosed
US-8536280-B2 Star polymer and coupling agent for anionic polymerization TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 2013-09-17 US disclosed
US-20090209726-A1 ACRYLIC STAR POLYMER NIPPON SODA CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209726-A1 ACRYLIC STAR POLYMER NIPPON SODA CO., LTD. (JP) 2009-08-20 US disclosed
US-20090111961-A1 Acrylic Acid-Based Polymer and Method of Producing the Same NIPPON SODA CO., LTD. (JP) 2009-04-30 US disclosed
US-20090111961-A1 Acrylic Acid-Based Polymer and Method of Producing the Same NIPPON SODA CO., LTD. (JP) 2009-04-30 US disclosed
US-7494759-B2 Positive resist compositions and process for the formation of resist patterns with the same TOKYO OHKA KOGYO CO., LTD. (JP) 2009-02-24 US disclosed
US-7494759-B2 Positive resist compositions and process for the formation of resist patterns with the same TOKYO OHKA KOGYO CO., LTD. (JP) 2009-02-24 US disclosed
US-20070224538-A1 Positive Resist Compositions and Process for the Formation of Resist Patterns With the Same TOKYO OHKA KOGYO CO., LTD. (JP) 2007-09-27 US disclosed
US-20070224538-A1 Positive Resist Compositions and Process for the Formation of Resist Patterns With the Same TOKYO OHKA KOGYO CO., LTD. (JP) 2007-09-27 US disclosed
US-20070142504-A1 Novel multi-branched polymer NIPPON SODA CO., LTD. (JP) 2007-06-21 US disclosed
US-20070142504-A1 Novel multi-branched polymer NIPPON SODA CO., LTD. (JP) 2007-06-21 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 ADORA3 547/4885PARP1 987/4885CSNK2A1 1817/4885

“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.