SCHEMBL25399004

SCHEMBL25399004

COC(=O)c1ncc(Br)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ATR Q13535 1/20 0.42
GRM5 P41594 1/20 0.39
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 2/20 0.37
PLAU P00749 2/20 0.37
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL261742 0.87 ATR (0.54) NPSR1ATRGRM5KDM4EALDH1A1
SCHEMBL30050535 0.87 ATR (0.54) NPSR1ATRGRM5KDM4EALDH1A1
SCHEMBL30570809 0.85 NPSR1 (0.56) NPSR1ATRGRM5KDM4EALDH1A1
SCHEMBL361309 0.84 NPSR1 (0.45) NPSR1ATRKDM4EALDH1A1SMN1; SMN2
SCHEMBL1680511 0.84 PLAU (0.53) NPSR1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL29483844 0.82 NPSR1 (0.47) NPSR1ATRKDM4EALDH1A1SMN1; SMN2
SCHEMBL22439886 0.82 NPSR1 (0.47) NPSR1ATRKDM4EALDH1A1SMN1; SMN2
SCHEMBL12248189 0.82 NPSR1 (0.47) NPSR1GRM5KDM4EALDH1A1SMN1; SMN2
SCHEMBL28058779 0.81 ATR (0.36) ATRGRM5KDM4EALDH1A1HPGD
SCHEMBL29410004 0.81 NPSR1 (0.45) NPSR1GRM5KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188059-A1 NOVEL COMPOUND AND USE THEREOF FOR INHIBITING CHECKPOINT KINASE 2 ARUM THERAPEUTICS INC (KR) 2025-06-12 US disclosed
EP-4495111-A1 NOVEL COMPOUND AND USE THEREOF FOR INHIBITING CHECKPOINT KINASE 2 Arum Therapeutics Inc (KR) 2025-01-22 EP disclosed
CN-118891255-A Novel compounds and their use for inhibiting checkpoint kinase 2 阿鲁姆治疗公司 2024-11-01 CN disclosed
WO-2023177233-A1 NOVEL COMPOUND AND USE THEREOF FOR INHIBITING CHECKPOINT KINASE 2 (주)아름테라퓨틱스 2023-09-21 WO disclosed
CN-106866553-B Synthesis method of Favipiravir 中南大学 2020-02-04 CN disclosed
CN-106866553-A A kind of synthetic method of Favipiravir 中南大学 2017-06-20 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-20250188059-A1 NOVEL COMPOUND AND USE THEREOF FOR INHIBITING CHECKPOINT KINASE 2 CHEK2, CHEK1, PARP2 NPSR1 4628/4885ATR 29/4885GRM5 4095/4885

“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.