SCHEMBL4819657

SCHEMBL4819657

Nc1ccc2cc(Br)cnc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.50
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
DYRK1A Q13627 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
ABL1 P00519 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKACA P17612 1/20 0.42
FLT1 P17948 1/20 0.42
LTK P29376 1/20 0.42

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
SCHEMBL30473687 1.00 BACE1 (0.50) BACE1KMT2AHTTDYRK1ADYRK1B
SCHEMBL29862595 0.80 SMN1; SMN2 (0.38) BACE1KMT2AHTTDYRK1ADYRK1B
SCHEMBL23360456 0.80 SMN1; SMN2 (0.38) BACE1KMT2AHTTDYRK1ADYRK1B
SCHEMBL5355204 0.79 PLAU (0.47) BACE1KMT2AHTTMAP4K4ROCK1
SCHEMBL4923752 0.79 SMN1; SMN2 (0.40) BACE1KMT2AHTTDYRK1ADYRK1B
SCHEMBL12687394 0.76 DYRK1B (0.38) KMT2AHTTDYRK1ADYRK1BCHEK1
SCHEMBL31752133 0.76 SMN1; SMN2 (0.46) HTTDYRK1AAURKASMN1; SMN2ALDH1A1
SCHEMBL5489275 0.73 FGFR1 (0.46) KMT2AHTTDYRK1ADYRK1BCHEK1
SCHEMBL13226821 0.73 SMN1; SMN2 (0.40) HTTDYRK1ADYRK1BCHEK1AURKA
SCHEMBL1500697 0.73 SMN1; SMN2 (0.48) KMT2AHTTDYRK1ADYRK1BCHEK1

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-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 US disclosed
US-11149035-B2 Chemical compounds as H—PGDS inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DFVELOPMENT LIMITED (GB) 2021-10-19 US disclosed
US-11149035-B2 Chemical compounds as H—PGDS inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DFVELOPMENT LIMITED (GB) 2021-10-19 US disclosed
US-20200123152-A1 Chemical Compounds as H-PGDS Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-23 US disclosed
US-20200123152-A1 Chemical Compounds as H-PGDS Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-23 US disclosed
EP-3638672-A1 CHEMICAL COMPOUNDS AS H-PGDS INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP disclosed
CN-110753692-A Chemical compounds as H-PGDS inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-02-04 CN disclosed
WO-2018229629-A1 CHEMICAL COMPOUNDS AS H-PGDS INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-20 WO disclosed
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US disclosed
EP-1567527-A1 CONDENSED PYRAZOLO DERIVATIVES ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2004050659-A1 NOVEL COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-06-17 WO disclosed
US-5843967-A 6-membered nitrogen-containing heteroaryl-oxazolidinones BAYER AKTIENGESELLSCHAFT (DE) 1998-12-01 US disclosed
US-5627181-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
CN-1119647-A 6-membered nitrogen-containing heteroaryl-oxazolidinones BAYER AG (DE) 1996-04-03 CN disclosed
EP-0694543-A1 6-membered N-heteroaryloxazolidinones BAYER AG (DE) 1996-01-31 EP 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 (5 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-11149035-B2 Chemical compounds as H—PGDS inhibitors HPGDS, PTGS1, PTGIS BACE1 4470/4885KMT2A 3090/4885HTT 580/4885
US-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 BACE1 287/4885KMT2A 4380/4885HTT 2715/4885
US-20200123152-A1 Chemical Compounds as H-PGDS Inhibitors HPGDS, PTGS1, PTGIS BACE1 4430/4885KMT2A 3123/4885HTT 655/4885
US-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 BACE1 3008/4885KMT2A 2000/4885HTT 1868/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 BACE1 3008/4885KMT2A 2000/4885HTT 1868/4885

“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.