SCHEMBL24374828

SCHEMBL24374828

O=c1[nH]ccn2c1cc1cccc(F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
DAO P14920 3/20 0.36
DDO Q99489 1/20 0.36
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MDM2 Q00987 1/20 0.33
GRIA1 P42261 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
JAK2 O60674 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MELK Q14680 1/20 0.33
STK24 Q9Y6E0 1/20 0.33
PARP1 P09874 2/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7007859 0.78 BRD4 (0.41) BRD4DAOMAPTKMT2AHPGD
SCHEMBL4751214 0.75 PARP1 (0.41) BRD4DAOJAK2RPS6KA3MELK
SCHEMBL7002739 0.71 GRIA1 (0.39) BRD4DAODDOGRIA1JAK2
SCHEMBL31055797 0.69 PARP1 (0.35) BRD4CCNE2CCNE1CDK2PARP1
SCHEMBL15392110 0.67 PARP1 (0.39) BRD4DAOJAK2RPS6KA3MELK
SCHEMBL7001371 0.65 BRD4 (0.45) BRD4DAODDOCA12CA9
SCHEMBL7004523 0.65 BRD4 (0.38) BRD4DAOCA12CA9CCNE1
SCHEMBL7005550 0.65 CHEK1 (0.45) BRD4DAOKMT2AHPGD
SCHEMBL7006748 0.65 BRD4 (0.45) BRD4JAK2RPS6KA3TP53
SCHEMBL31055799 0.64 LMNA (0.38) JAK2RPS6KA3PARP1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004902-A Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-05-16 CN disclosed
CN-119930630-A Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-05-06 CN disclosed
CN-119925375-A Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-05-06 CN disclosed
CN-115151535-B Heteroaryl heterocycles and uses thereof 和记黄埔医药(上海)有限公司 2025-01-10 CN disclosed
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2023-02-09 US disclosed
EP-4107154-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2022-12-28 EP disclosed
US-11478474-B2 2-(3′-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4′-bipyridin]-2′-yl)-7,7-dimethyl-7,8-dihydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one as a BTK inhibitor HUTCHISON MEDIPHARMA LIMITED (CN) 2022-10-25 US disclosed
CN-115151535-A Heteroaryl heterocyclic compounds and uses thereof 和记黄埔医药(上海)有限公司 2022-10-04 CN disclosed
US-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-04-28 US disclosed
US-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-04-28 US 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 (3 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-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A4, CYP4B1, CYP3A5 BRD4 621/4885DAO 375/4885DDO 1017/4885
US-11478474-B2 2-(3′-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4′-bipyridin]-2′-yl)-7,7-dimethyl-7,8-dihydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one as a BTK inhibitor BTK, SYK, LCK BRD4 355/4885DAO 2652/4885DDO 3299/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 BRD4 1261/4885DAO 1627/4885DDO 1411/4885

“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.