SCHEMBL29519954

SCHEMBL29519954

Nc1ncc(CCN2CCCC2)nc1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A3 Q01959 1/20 0.38
ALOX15 P16050 1/20 0.37
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
HTT P42858 1/20 0.35

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
SCHEMBL481835 0.98 CYP1A2 (0.48) HRH3CYP1A2CYP2D6L3MBTL1TDP1
SCHEMBL481743 0.85 SMN1; SMN2 (0.41) HRH3CYP1A2SIGMAR1
SCHEMBL22230354 0.71 LMNA (0.45) TDP1
SCHEMBL14909587 0.71 HRH3 (0.40) HRH3CYP1A2CYP2D6L3MBTL1TDP1
SCHEMBL481798 0.70 ADRA2A (0.39) CYP1A2
SCHEMBL6428656 0.69 HRH3 (0.39) HRH3CYP1A2CYP2D6L3MBTL1TDP1
SCHEMBL14305896 0.68 CYP1A2 (0.51) HRH3CYP1A2CYP2D6L3MBTL1TDP1
SCHEMBL29520057 0.68 SMN1; SMN2 (0.54) HRH3ALOX15
SCHEMBL3933570 0.66 HRH4 (0.39) HRH3SIGMAR1SLC6A3
SCHEMBL2897624 0.66 HRH3 (0.46) HRH3CYP1A2CYP2D6L3MBTL1TDP1

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 HRH3 432/4885CYP1A2 2312/4885CYP2D6 2289/4885

“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.