SCHEMBL30020727

SCHEMBL30020727

COc1cc(-c2nnn[nH]2)cc(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ CHEK1 O14757 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ ATRIP Q8WXE1 1/20 0.31
▸ CD274 Q9NZQ7 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
SCHEMBL24690176 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDSMN1; SMN2KDM4E
SCHEMBL30019977 0.79 BCAT2 (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL24689984 0.79 BCAT2 (0.42) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL13068145 0.71 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2KDM4EPOLB
SCHEMBL6160731 0.70 USP2 (0.34) ALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL18518447 0.69 ALDH1A1 (0.48) ALDH1A1POLBTSHR
SCHEMBL24690174 0.69 — —
SCHEMBL24690088 0.69 MAPT (0.45) HPGDNPC1RAB9ADYRK1A
SCHEMBL3044550 0.69 HSD17B10 (0.47) ALDH1A1HSD17B10KDM4ETSHR
SCHEMBL6744136 0.68 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDSMN1; SMN2KDM4E

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 ALDH1A1 1962/4885HSD17B10 882/4885HPGD 3031/4885

“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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