SCHEMBL30184444

SCHEMBL30184444

O=C(O)c1c(Nc2ccccc2)nn2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.50
▸ HTR6 P50406 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KCNQ3 O43525 2/20 0.41
▸ KCNQ2 O43526 2/20 0.41
▸ APOBEC3A P31941 2/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ TTK P33981 1/20 0.38

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
SCHEMBL26172231 0.81 HTR6 (0.53) HTR6ALDH1A1KCNQ3KCNQ2APOBEC3A
SCHEMBL405686 0.79 HTR6 (0.52) HTR6ALDH1A1SMN1; SMN2
SCHEMBL29987490 0.77 PDE2A (0.42) HTR6MEN1KMT2AALDH1A1KCNQ3
SCHEMBL25261273 0.76 KCNQ3 (0.43) HTR6MEN1KMT2AALDH1A1KCNQ3
SCHEMBL16619547 0.74 PIK3CG (0.45) APOBEC3AAPOBEC3GPIK3CDPIK3CAPIK3CB
SCHEMBL3714513 0.74 PIK3CG (0.51) HTR6MEN1KMT2AALDH1A1APOBEC3A
SCHEMBL23728529 0.74 APOBEC3A (0.45) HTR6MEN1KMT2AALDH1A1GAA
SCHEMBL18208430 0.73 PIK3CG (0.44) APOBEC3AAPOBEC3GPIK3CDPIK3CAPIK3CB
SCHEMBL29939968 0.72 HTR6 (0.43) DHODHHTR6MEN1KMT2AALDH1A1
SCHEMBL943447 0.72 KCNQ3 (0.41) HTR6ALDH1A1KCNQ3KCNQ2APOBEC3A

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-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 — — US disclosed
EP-4163283-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-04-12 — — EP disclosed
CN-113754682-B Compound having macrocyclic structure and use thereof 赛诺哈勃药业(成都)有限公司 2023-01-06 — — CN 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-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF BTK, SRC, YES1 DHODH 4267/4885HTR6 2960/4885MEN1 306/4885

“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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