SCHEMBL29519971

SCHEMBL29519971

Cc1ccc(Cc2nccnc2C(N)=O)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
PLAU P00749 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
TSHR P16473 1/20 0.35
MC4R P32245 1/20 0.35
ADRA1A P35348 1/20 0.35
MC3R P41968 1/20 0.35
KMT2A Q03164 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
IKBKB O14920 2/20 0.33
DAO P14920 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL16597985 0.74 ADORA3 (0.47) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL14573460 0.72 CCR1 (0.52) KEAP1NFE2L2ADRA2AADRA2BADRA2C
SCHEMBL1428296 0.72 ADRA2A (0.47) KEAP1NFE2L2ADRA2AADRA2BADRA2C
SCHEMBL21722896 0.71 AR (0.42) IKBKB
SCHEMBL16598020 0.70 CYP2C9 (0.44) ADORA2ATSHRKMT2ATDP1
SCHEMBL1851646 0.69 ADRA2A (0.41) ADRA2AADRA2BADRA2CMAPTRAB9A
SCHEMBL3462423 0.69 CYP17A1 (0.51) MAPTADORA3TSHRMC4RADRA1A
SCHEMBL3462235 0.69 PLA2G10 (0.50) MAPTADORA2AADORA3TSHRKMT2A
SCHEMBL171039 0.69 KMT2A (0.53) ADRA2AADRA2BADRA2CMAPTRAB9A
SCHEMBL3461163 0.69 TSHR (0.38) RAB9AADORA2AADORA3TSHRMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306071-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2022-04-19 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-11306071-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 KEAP1 2489/4885NFE2L2 1922/4885ADRA2A 85/4885

“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.