SCHEMBL30850642

SCHEMBL30850642

c1cc(CCNc2ncnc3[nH]cnc23)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TTBK1 Q5TCY1 2/20 0.45
▸ TTBK2 Q6IQ55 2/20 0.45
▸ SLC29A1 Q99808 1/20 0.43
▸ EGFR P00533 1/20 0.40
▸ APP P05067 1/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ TMIGD3 P0DMS9 2/20 0.40
▸ ADORA2A P29274 2/20 0.40

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
SCHEMBL20119632 1.00 HTT (0.49) HTTMAPK1TAAR1LMNATSHR
SCHEMBL9609211 0.87 MAPK1 (0.64) HTTMAPK1TAAR1LMNATSHR
SCHEMBL15950904 0.85 LMNA (0.47) MAPK1LMNATSHREGFRMAPT
SCHEMBL17933849 0.84 HTT (0.49) HTTMAPK1TAAR1LMNATSHR
SCHEMBL20119324 0.84 GALR3 (0.58) HTTMAPK1TAAR1LMNATSHR
SCHEMBL20119885 0.84 HTT (0.46) HTTMAPK1TAAR1LMNATSHR
SCHEMBL30850528 0.84 HTT (0.48) HTTMAPK1TAAR1LMNATSHR
SCHEMBL20119357 0.84 HTT (0.48) HTTMAPK1TAAR1LMNATSHR
SCHEMBL20119594 0.80 CNR1 (0.47) HTTMAPK1TAAR1LMNATSHR
SCHEMBL30850620 0.78 HTT (0.53) HTTMAPK1TAAR1LMNASMN1; SMN2

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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-04-11 — — 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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ADORA3, ADORA2A, ADORA2B HTT 3472/4885MAPK1 3707/4885TAAR1 444/4885

“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.

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