SCHEMBL23212280

SCHEMBL23212280

CCOC(=O)c1ncnc(Cl)c1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TLR9 Q9NR96 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PLK1 P53350 1/20 0.39
TARBP2 Q15633 2/20 0.38
GLP1R P43220 1/20 0.38
KDM4E B2RXH2 4/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL29620502 1.00 NPC1 (0.42) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL10177625 0.88 ALDH1A1 (0.43) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL10177635 0.81 MAPT (0.43) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL2743308 0.81 NPC1 (0.46) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL13472307 0.81 KDM5B (0.48) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL22118282 0.78 NPC1 (0.43) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL18703764 0.78 NPC1 (0.47) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL28855951 0.78 ALDH1A1 (0.43) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL16274616 0.75 CA12 (0.48) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL15350459 0.75 CYP4F2 (0.50) ALDH1A1MAPTHTTHSD17B10CYP4F2

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
EP-4041732-B1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR ZHEJIANG METON PHARMACEUTICAL CO LTD (CN) 2026-03-18 EP disclosed
US-12528802-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-01-20 US disclosed
US-12441725-B2 ISO-citrate dehydrogenase (IDH) inhibitor ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2025-10-14 US disclosed
CN-114555597-B Isocitrate Dehydrogenase (IDH) inhibitors 浙江迈同生物医药有限公司 2024-06-04 CN disclosed
US-20240116917-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2024-04-11 US disclosed
US-20220274982-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-01 US disclosed
EP-4005638-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 EP disclosed
CN-114555597-A Isocitrate Dehydrogenase (IDH) inhibitors 浙江迈同生物医药有限公司 2022-05-27 CN disclosed
WO-2021068698-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR SHANGHAI METON PHARMACEUTICAL CO., LTD (CN) 2021-04-15 WO disclosed
WO-2021068698-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR SHANGHAI METON PHARMACEUTICAL CO., LTD (CN) 2021-04-15 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 (4 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-20240116917-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR IDH2, IDH3A, IDH1 NPC1 1911/4885ALDH1A1 538/4885TP53 39/4885
US-12528802-B2 Heterocyclic compound GBA2, GBA1, GALC NPC1 81/4885ALDH1A1 2563/4885TP53 4852/4885
US-20220274982-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC NPC1 226/4885ALDH1A1 1563/4885TP53 4290/4885
US-12441725-B2 ISO-citrate dehydrogenase (IDH) inhibitor IDH2, IDH3A, IDH1 NPC1 1911/4885ALDH1A1 538/4885TP53 39/4885

“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.