SCHEMBL22638176

SCHEMBL22638176

Nc1n[nH]c(-c2ncco2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALPL P05186 1/20 0.41
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
AOC3 Q16853 1/20 0.35
HPGDS O60760 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL15629752 0.75 SMN1; SMN2 (0.41) KDM4EALPLHSD17B10NPC1RAB9A
Hydrochloric Acid SCHEMBL4562599 0.74 SMN1; SMN2 (0.40) KDM4EALPLHSD17B10NPC1RAB9A
SCHEMBL17279724 0.71 NR1H2 (0.59) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL2348095 0.69 HPGDS (0.33) HPGDSLTA4H
SCHEMBL12747064 0.68 HPGDS (0.33) HPGDSLTA4H
SCHEMBL15627195 0.68 SMN1; SMN2 (0.41) KDM4EALPLHSD17B10NPC1RAB9A
SCHEMBL100765 0.67 HPGDS (0.46) HPGDSLTA4HADORA2AADORA1
SCHEMBL8731561 0.67 PDPK1 (0.54) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL21801560 0.65 HSP90AA1 (0.50) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL1285815 0.64 ALDH1A1 (0.50) KDM4EALDH1A1CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12325708-B2 Adenosine 2 receptor antagonists NEKTAR THERAPEUTICS (US) 2025-06-10 US disclosed
US-20220235056-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS NEKTAR THERAPEUTICS 2022-07-28 US disclosed
WO-2020227156-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS NEKTAR THERAPEUTICS (US) 2020-11-12 WO disclosed
WO-2020227156-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS NEKTAR THERAPEUTICS (US) 2020-11-12 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 (2 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-20220235056-A1 ADENOSINE 2 RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA3 KDM4E 2170/4885ALDH1A1 1202/4885CYP1A2 1923/4885
US-12325708-B2 Adenosine 2 receptor antagonists ADORA2A, ADORA2B, ADORA3 KDM4E 2170/4885ALDH1A1 1202/4885CYP1A2 1923/4885

“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.