SCHEMBL2030108

SCHEMBL2030108

Nc1nc2ncnc-2c(N)n1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.35
▸ ADORA3 P0DMS8 3/20 0.35
▸ ADORA1 P30542 3/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ RPS6KB1 P23443 2/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ HCAR1 Q9BXC0 1/20 0.31
▸ RPS6KA5 O75582 1/20 0.30
▸ CDC7 O00311 1/20 0.30
▸ PLK4 O00444 1/20 0.30
▸ DYRK3 O43781 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ PRKD3 O94806 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ NTRK1 P04629 1/20 0.30
▸ INSR P06213 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ RET P07949 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
SCHEMBL7154804 0.94 RIPK2 (0.33) ADORA2AADORA3ADORA1ADORA2B
Hydrochloric Acid SCHEMBL4898580 0.92 RIPK2 (0.32) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7154076 0.67 MAPK9 (0.44) —
SCHEMBL2953126 0.66 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2BRPS6KB1
SCHEMBL2945103 0.64 RET (0.36) ADORA2AADORA3ADORA1ADORA2BRPS6KB1
SCHEMBL3084463 0.62 — —
SCHEMBL4263641 0.61 HCAR1 (0.42) ADORA1HCAR1CSNK1A1CLK2LIMK1
SCHEMBL1551877 0.60 ADORA2A (0.42) ADORA2AADORA3ADORA1ADORA2BROCK1
SCHEMBL15545185 0.60 ADORA2A (0.42) ADORA2AADORA3ADORA1ADORA2BROCK1
SCHEMBL4263642 0.59 PI4KA (0.43) ADORA2AADORA3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008025160-A1 OXEPANE NUCLEOSIDES AND OLIGONUCLEOTIDES, USES THEREOF AND METHODS OF MAKING THE SAME MCGILL UNIVERSITY (CA) 2008-03-06 — — WO claimed
US-9572898-B2 Functionalized fluorine containing phthalocyanine molecules SETON HALL UNIVERSITY (US) 2017-02-21 — — US disclosed
US-20150071862-A1 FUNCTIONALIZED FLUORINE CONTAINING PHTHALOCYANINE MOLECULES SETON HALL UNIVERSITY 2015-03-12 — — US disclosed
US-20140163085-A1 Oligonucleotide Inhibitors with Chimeric Backbone and 2-Amino-2'-Deoxyadenosine PHARMAXIS LTD (AU) 2014-06-12 — — US disclosed
CN-102099474-B Oligonucleotides for treating inflammation and neoplastic cell proliferation TOPIGEN PHARMACEUTICALS INC 2014-05-28 — — CN disclosed
US-20140018408-A1 OLIGONUCLEOTIDES FOR TREATING INFLAMMATION AND NEOPLASTIC CELL PROLIFERATION PAQUET LUC (CA) 2014-01-16 — — US disclosed
EP-2678431-A1 OLIGONUCLEOTIDE INHIBITORS WITH CHIMERIC BACKBONE AND 2-AMINO-2'-DEOXYADENOSINE PharmAxis Ltd (AU) 2014-01-01 — — EP disclosed
US-8470999-B2 Oligonucleotides for treating inflammation and neoplastic cell proliferation PAQUET LUC (CA) 2013-06-25 — — US disclosed
WO-2012113067-A1 OLIGONUCLEOTIDE INHIBITORS WITH CHIMERIC BACKBONE AND 2-AMINO-2'-DEOXYADENOSINE PHARMAXIS LTD (AU) 2012-08-30 — — WO disclosed
US-20110144183-A1 OLIGONUCLEOTIDES FOR TREATING INFLAMMATION AND NEOPLASTIC CELL PROLIFERATION PAQUET LUC 2011-06-16 — — US disclosed
CN-102099474-A Oligonucleotides for treating inflammation and neoplastic cell proliferation TOPIGEN PHARMACEUTICALS INC 2011-06-15 — — CN disclosed
WO-2008025160-A1 OXEPANE NUCLEOSIDES AND OLIGONUCLEOTIDES, USES THEREOF AND METHODS OF MAKING THE SAME MCGILL UNIVERSITY (CA) 2008-03-06 — — 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 (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-20150071862-A1 FUNCTIONALIZED FLUORINE CONTAINING PHTHALOCYANINE MOLECULES ROS1, CD47, TP53 ADORA2A 4066/4885ADORA3 4196/4885ADORA1 4133/4885

“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.

Send feedback