SCHEMBL17008902

SCHEMBL17008902

Cc1ncn(CC#N)c1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.42
ADORA2B P29275 3/20 0.41
ALDH1A1 P00352 4/20 0.37
CYP17A1 P05093 1/20 0.37
PDE4A P27815 1/20 0.36
ADORA2A P29274 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
POLB P06746 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.31
FDPS P14324 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
SCHEMBL17020156 0.73 ADORA2B (0.41) CSNK2A1ADORA2BALDH1A1CYP17A1PDE4A
SCHEMBL17008879 0.70 LMNA (0.42) CSNK2A1ADORA2BALDH1A1CYP17A1PDE4A
SCHEMBL17008880 0.69 TGFBR1 (0.37) ADORA2APOLBFDPS
SCHEMBL17020106 0.69 CYP17A1 (0.37) CYP17A1ADORA2AFDPS
SCHEMBL17008875 0.68 MAPK14 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL17008872 0.68 MEN1 (0.50) ADORA2BALDH1A1PDE4AADORA2APDE4B
SCHEMBL19848361 0.66 POLB (0.58) ALDH1A1CYP17A1POLBMEN1KMT2A
SCHEMBL23262015 0.65 ADORA2B (0.40) CSNK2A1ADORA2BALDH1A1CYP17A1PDE4A
SCHEMBL1956056 0.64
SCHEMBL7333393 0.64 CSNK2A1 (0.44) CSNK2A1ADORA2BALDH1A1CYP17A1PDE4A

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
EP-3105207-B1 GPR142 AGONIST COMPOUNDS LILLY CO ELI (US) 2018-08-22 EP disclosed
US-9861613-B2 GPR142 agonist compounds ELI LILLY AND COMPANY (US) 2018-01-09 US disclosed
US-9861613-B2 GPR142 agonist compounds ELI LILLY AND COMPANY (US) 2018-01-09 US disclosed
US-20170165234-A1 GPR142 Agonist Compounds ELI LILLY AND COMPANY 2017-06-15 US disclosed
US-20170165234-A1 GPR142 Agonist Compounds ELI LILLY AND COMPANY 2017-06-15 US disclosed
US-20170165234-A1 GPR142 Agonist Compounds ELI LILLY AND COMPANY 2017-06-15 US disclosed
EP-3105207-A1 GPR142 AGONIST COMPOUNDS Eli Lilly and Company (US) 2016-12-21 EP disclosed
WO-2015120768-A1 GPR142 AGONIST COMPOUNDS ELI LILLY AND COMPANY (US) 2015-08-20 WO disclosed
WO-2015120768-A1 GPR142 AGONIST COMPOUNDS ELI LILLY AND COMPANY (US) 2015-08-20 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-20170165234-A1 GPR142 Agonist Compounds GPR3, GPR142, GPR27 CSNK2A1 1033/4885ADORA2B 872/4885ALDH1A1 2744/4885

“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.