SCHEMBL21855798

SCHEMBL21855798

NNc1nc2c(Cl)cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.56
▸ MAOB P27338 1/20 0.56
▸ ADORA2A P29274 1/20 0.56
▸ ADORA2B P29275 1/20 0.56
▸ PSMB8 P28062 2/20 0.56
▸ NUDT1 P36639 1/20 0.44
▸ GAA P10253 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.43
▸ MGAM O43451 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 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
SCHEMBL6984307 0.79 MGAM (0.49) GAAALDH1A1HPGDTDP1MGAM
SCHEMBL7208967 0.78 ADORA1 (0.52) ADORA1MAOBADORA2AADORA2BPSMB8
SCHEMBL215756 0.76 NUDT1 (0.70) ADORA1MAOBADORA2AADORA2BPSMB8
SCHEMBL66295 0.75 PSMB8 (0.59) ADORA1MAOBADORA2AADORA2BPSMB8
SCHEMBL1170768 0.75 ADORA1 (0.61) ADORA1MAOBADORA2AADORA2BPSMB8
SCHEMBL6982057 0.75 CNR2 (0.48) ADORA1MAOBADORA2AADORA2BNUDT1
SCHEMBL6973496 0.75 RIPK1 (0.41) ADORA1MAOBADORA2AADORA2BGAA
SCHEMBL13238087 0.74 ADORA1 (0.49) ADORA1MAOBADORA2AADORA2BPSMB8
SCHEMBL11850373 0.73 ADORA2A (0.65) ADORA1MAOBADORA2AADORA2BPSMB8
SCHEMBL13238089 0.72 ADORA1 (0.47) ADORA1MAOBADORA2AADORA2BPSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380341-A1 INHIBITORS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-12-01 — — US disclosed
WO-2020081856-A1 INHIBITORS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-04-23 — — 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-20220380341-A1 INHIBITORS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE NAT1, CXCR4, HAX1 ADORA1 2208/4885MAOB 852/4885ADORA2A 3470/4885

“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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