SCHEMBL16620629

SCHEMBL16620629

O=C(Nc1cc(Br)ccn1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
ATM Q13315 1/20 0.56
JAK2 O60674 1/20 0.56
TYK2 P29597 1/20 0.56
GRM5 P41594 3/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SORT1 Q99523 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RIOK2 Q9BVS4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK10 P53779 1/20 0.50
HCAR3 P49019 1/20 0.50

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
SCHEMBL29899082 1.00 NPC1 (0.61) NPC1RAB9AATMJAK2TYK2
SCHEMBL2783145 0.86 NPC1 (0.68) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL29899004 0.85 MAPK8 (0.62) NPC1RAB9AGRM5MAPK8MAPK10
SCHEMBL23410523 0.85 MAPK8 (0.62) NPC1RAB9AGRM5MAPK8MAPK10
SCHEMBL29899009 0.84 HTR1F (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL23410295 0.84 HTR1F (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL29083781 0.84 RAB9A (0.58) NPC1RAB9AATMMEN1KMT2A
SCHEMBL16974225 0.84 MEN1 (0.62) NPC1RAB9AGRM5MEN1KMT2A
SCHEMBL30565890 0.84 MEN1 (0.62) NPC1RAB9AGRM5MEN1KMT2A
SCHEMBL29083770 0.84 IDE (0.58) NPC1RAB9AATMGRM5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
CN-115151257-B Novel compounds for the treatment of diseases associated with DUX4 expression 因维戈疗法有限公司 2024-07-12 CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-08-31 US disclosed
US-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-02-16 US disclosed
EP-4065110-A1 NOVEL COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2022-10-05 EP disclosed
EP-4065107-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2022-10-05 EP disclosed
CN-115151257-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 CN disclosed
CN-115151256-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 CN disclosed
EP-3052501-B1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2022-06-22 EP disclosed
CN-113735850-A Synthesis method of 1,2, 4-triazole compound 河南师范大学 2021-12-03 CN disclosed
WO-2021105481-A1 NOVEL COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed
WO-2021105474-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-01-28 US disclosed
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-12 US disclosed
US-9884867-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-06 US disclosed
US-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-08-11 US disclosed
EP-3052501-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF Agency For Science, Technology And Research (SG) 2016-08-10 EP disclosed
WO-2015050505-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-04-09 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 (6 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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB NPC1 1965/4885RAB9A 2770/4885ATM 439/4885
US-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 NPC1 2820/4885RAB9A 2817/4885ATM 264/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 NPC1 2940/4885RAB9A 2877/4885ATM 275/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 NPC1 2820/4885RAB9A 2817/4885ATM 264/4885
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression UTRN, ZFX, CBX6 NPC1 3212/4885RAB9A 1291/4885ATM 4021/4885
US-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression SMN1; SMN2, UTRN, DDX21 NPC1 2644/4885RAB9A 827/4885ATM 4050/4885

“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.