SCHEMBL30019977

SCHEMBL30019977

Nc1cc(-c2nnn[nH]2)cc(Oc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.42
▸ MAPK1 P28482 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BTK Q06187 2/20 0.37
▸ CHEK2 O96017 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ XDH P47989 1/20 0.34

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
SCHEMBL24689984 1.00 BCAT2 (0.42) BCAT2MAPK1TDP1NUDT1MEN1
SCHEMBL30020727 0.79 ALDH1A1 (0.36) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24690176 0.79 ALDH1A1 (0.36) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25350701 0.78 MAPK1 (0.53) BCAT2MAPK1TDP1NUDT1MEN1
SCHEMBL6502581 0.75 LTA4H (0.49) CHEK2NPC1RAB9A
SCHEMBL706418 0.74 DHODH (0.45) CHEK2MAOBNPC1RAB9A
SCHEMBL29151881 0.73 HPGD (0.32) MAPK1TDP1NUDT1MEN1KMT2A
SCHEMBL24689985 0.72 PTGDR (0.44) MAPK1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL14556361 0.69 NOX1 (0.40) CYP1A2
SCHEMBL17923129 0.68 BCAT2 (0.49) BCAT2MAPK1TDP1NUDT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254093-A1 GPR35 Agonist Compounds NXERA PHARMA UK LIMITED (GB) 2024-08-01 — — US disclosed
EP-4326708-A1 GPR35 AGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2024-02-28 — — EP disclosed
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 — — 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-20240254093-A1 GPR35 Agonist Compounds GPR35, GPR119, GPR68 BCAT2 2302/4885MAPK1 1217/4885TDP1 3138/4885

“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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