SCHEMBL620579

SCHEMBL620579

Brc1nc2ncccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.60
METAP1 P53582 2/20 0.53
METAP2 P50579 1/20 0.53
PDE5A O76074 4/20 0.49
AURKA O14965 7/20 0.47
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.44
HPSE Q9Y251 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1170747 0.78 METAP1 (0.72) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL31490802 0.77 NUDT1 (0.62) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL239645 0.77 NUDT1 (0.62) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL805045 0.75 NUDT1 (0.60) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL21389521 0.75 NUDT1 (0.60) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL24520478 0.75 NUDT1 (0.60) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL6962055 0.75 NUDT1 (0.60) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL3974198 0.75 NUDT1 (0.60) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL1427745 0.75 NUDT1 (0.60) NUDT1METAP1METAP2PDE5AAURKA
SCHEMBL323981 0.75 NUDT1 (0.60) NUDT1METAP1METAP2PDE5AAURKA

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
WO-2025076501-A1 HIGH THROUGHPUT PARALLEL SYNTHESIS OF SMALL MOLECULE DEGRADERS THE SCRIPPS RESEARCH INSTITUTE (US) 2025-04-10 WO disclosed
CN-116768887-A Preparation method of iridescent and dual-band fluorescent emission material 桂林理工大学 2023-09-19 CN disclosed
US-20220389019-A1 TrkB POSITIVE ALLOSTERIC MODULATORS INSERM - INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (FR) 2022-12-08 US disclosed
EP-4010341-A1 TRKB POSITIVE ALLOSTERIC MODULATORS Université de Strasbourg (FR) 2022-06-15 EP disclosed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
CN-114450006-A TrkB positive allosteric modulators 斯特拉斯堡大学 2022-05-06 CN disclosed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
EP-3911652-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS Biogen MA Inc. (US) 2021-11-24 EP disclosed
WO-2021023858-A1 TrkB POSITIVE ALLOSTERIC MODULATORS UNIVERSITÉ DE STRASBOURG (FR) 2021-02-11 WO disclosed
WO-2001032264-A1 ARYL OLEFINIC AZACYCLIC, AND ARYL ACETYLENIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-05-10 WO disclosed
US-6214840-B1 FUNGICIDES; BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 WO disclosed
EP-0966467-A1 ANNULATED AZOLE DERIVATIVES USEFUL AS MICROBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 1999-12-29 EP disclosed
US-5977028-A Substituted phenylheterocyclic herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-02 US disclosed
EP-0626962-B1 SUBSTITUTED PHENYLHETEROCYCLIC HERBICIDES DU PONT (US) 1999-03-17 EP disclosed
WO-1998039331-A1 ANNULATED AZOLE DERIVATIVES USEFUL AS MICROBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-11 WO disclosed
US-5670455-A Substituted phenylheterocyclic herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-09-23 US disclosed
EP-0626962-A1 SUBSTITUTED PHENYLHETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-12-07 EP disclosed
WO-1993015074-A1 SUBSTITUTED PHENYLHETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-05 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 (2 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-20220389019-A1 TrkB POSITIVE ALLOSTERIC MODULATORS HTT, NTRK2, BDNF NUDT1 1129/4885METAP1 4753/4885METAP2 4702/4885
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 NUDT1 3139/4885METAP1 3844/4885METAP2 4516/4885

“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.