SCHEMBL5801729

SCHEMBL5801729

CCn1cnc2ncnc(N)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 1.00
ADORA1 P30542 6/20 0.54
PI4KA P42356 2/20 0.54
PI4K2B Q8TCG2 2/20 0.54
PI4K2A Q9BTU6 2/20 0.54
PI4KB Q9UBF8 2/20 0.54
PIK3CD O00329 2/20 0.44
KDR P35968 3/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
TEK Q02763 1/20 0.44
ADORA2B P29275 2/20 0.44
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
AHCY P23526 1/20 0.36

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
SCHEMBL1665392 0.83 ADORA2A (0.71) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1665301 0.81 ADORA2A (0.69) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Bromide SCHEMBL9778439 0.79 ADORA2A (0.75) ADORA2AADORA1KDRADORA2B
Hydrochloric Acid SCHEMBL9778362 0.79 ADORA2A (0.75) ADORA2AADORA1KDRADORA2B
Hydrochloric Acid SCHEMBL9778392 0.79 ADORA2A (0.75) ADORA2AADORA1KDRADORA2B
Hydrochloric Acid SCHEMBL9778422 0.79 ADORA2A (0.75) ADORA2AADORA1KDRADORA2B
Hydrochloric Acid SCHEMBL9778348 0.79 ADORA2A (0.75) ADORA2AADORA1KDRADORA2B
SCHEMBL4815870 0.79 ADORA2A (0.71) ADORA2AADORA1PIK3CDKDREGFR
SCHEMBL8584781 0.78 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28115748 0.78 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330260-A1 RNA FORMULATIONS ModemaTX, Inc. (US) 2023-10-19 US disclosed
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-09-03 US disclosed
EP-2847329-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF CYTOPLASMIC AND CYTOSKELETAL PROTEINS Moderna Therapeutics, Inc. (US) 2015-03-18 EP disclosed
WO-2014092572-A1 IMPROVED METHODS FOR CANCER TREATMENT WITH A GENOTOXIC AGENT UNIVERSITEIT LEIDEN (NL) 2014-06-19 WO disclosed
WO-2013151669-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF CYTOPLASMIC AND CYTOSKELETAL PROTEINS modeRNA Therapeutics (US) 2013-10-10 WO disclosed
EP-2281043-B1 IMPROVED TLR3 AGONIST COMPOSITIONS INNATE PHARMA (FR) 2013-03-13 EP disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO disclosed
WO-2003027327-A1 ANTISENSE MODULATION OF INTERLEUKIN 8 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2003-04-03 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-20230330260-A1 RNA FORMULATIONS SYNCRIP, NSUN3, RNMT ADORA2A 2677/4885ADORA1 2841/4885PI4KA 1802/4885
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885PI4KA 5/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 ADORA2A 469/4885ADORA1 192/4885PI4KA 578/4885

“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.