SCHEMBL29565779

SCHEMBL29565779

Cc1cc(-c2ccc3c(N)nc(N)cc3n2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ AURKA O14965 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ ALK Q9UM73 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.34
▸ DHFR P00374 3/20 0.33
▸ PDPK1 O15530 2/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33

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
SCHEMBL28411462 1.00 MAPT (0.44) MAPTNPC1KDM4EGAAHSD17B10
Hydrochloric Acid SCHEMBL28411373 0.99 MAPT (0.43) MAPTNPC1KDM4EGAAHSD17B10
Hydrochloric Acid SCHEMBL29565430 0.99 MAPT (0.43) MAPTNPC1KDM4EGAAHSD17B10
Trifluoroacetic Acid SCHEMBL29566185 0.88 MAPT (0.37) MAPTNPC1KDM4EGAAHSD17B10
Trifluoroacetic Acid SCHEMBL28416274 0.88 MAPT (0.37) MAPTNPC1KDM4EGAAHSD17B10
Trifluoroacetic Acid SCHEMBL29566493 0.88 MAPT (0.37) MAPTNPC1KDM4EGAAHSD17B10
SCHEMBL28300570 0.71 CYP1A1 (0.52) NPC1KDM4EGAAHSD17B10L3MBTL1
SCHEMBL14596555 0.70 DHFR (0.54) MAPTNPC1KDM4EHSD17B10RAB9A
SCHEMBL18027880 0.68 L3MBTL1 (0.59) MAPTNPC1KDM4EGAAHSD17B10
SCHEMBL4984247 0.67 CDK2 (0.53) MAPTNPC1KDM4EGAAHSD17B10

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
CN-115916747-A Fused heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2023-04-04 — — CN disclosed
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 — — US disclosed
CN-111362975-B Naphthyridine compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2022-04-05 — — 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-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB MAPT 3970/4885NPC1 2448/4885KDM4E 2064/4885

“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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