SCHEMBL5456183

SCHEMBL5456183

Nc1nnc(N2CCOCC2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
GAA P10253 4/20 0.66
MAPK1 P28482 3/20 0.66
HSD17B10 Q99714 1/20 0.66
SMN1; SMN2 Q16637 7/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
HPGD P15428 3/20 0.58
KDM4E B2RXH2 2/20 0.58
TSHR P16473 1/20 0.58
MAPT P10636 3/20 0.44
AR P10275 3/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OGA O60502 1/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
LMNA P02545 1/20 0.40
PIK3CD O00329 2/20 0.39

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
SCHEMBL17654176 0.85 ALDH1A1 (0.79) ALDH1A1GAAMAPK1HSD17B10SMN1; SMN2
SCHEMBL5199794 0.81 ALDH1A1 (0.96) ALDH1A1GAAMAPK1HSD17B10SMN1; SMN2
SCHEMBL11372459 0.79 ALDH1A1 (1.00) ALDH1A1GAAMAPK1HSD17B10SMN1; SMN2
SCHEMBL17654100 0.79 ALDH1A1 (0.84) ALDH1A1GAAMAPK1HSD17B10SMN1; SMN2
SCHEMBL5631018 0.79 ALDH1A1 (1.00) ALDH1A1GAAMAPK1HSD17B10SMN1; SMN2
SCHEMBL25859539 0.78 RAB9A (0.42) ALDH1A1GAAMAPK1HSD17B10SMN1; SMN2
SCHEMBL13428031 0.76 AR (0.44) ALDH1A1GAAHSD17B10SMN1; SMN2NPC1
SCHEMBL2397484 0.76 ALDH1A1 (0.66) ALDH1A1GAAMAPK1HSD17B10SMN1; SMN2
SCHEMBL12263529 0.76 PIK3CD (0.46) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL8771166 0.74 SMN1; SMN2 (0.40) ALDH1A1GAAHSD17B10SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 EP claimed
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
CN-104903320-B Nitrogen-containing heterocycle compound or its salt 富士胶片株式会社 2018-11-13 CN disclosed
US-10005769-B2 2,3-dihydrobenzofuran-5YL compounds as DYRK kinase inhibitors 4SC AG (DE) 2018-06-26 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-20160137637-A1 2,3-DIHYDROBENZOFURAN-5YL COMPOUNDS AS DYRK KINASE INHIBITORS 4SC DISCOVERY GMBH (DE) 2016-05-19 US disclosed
EP-3010920-A1 2,3-DIHYDROBENZOFURAN-5-YL COMPOUNDS AS DYRK KINASE INHIBITORS 4SC Discovery GmbH (DE) 2016-04-27 EP disclosed
WO-2014202638-A9 2,3-DIHYDROBENZOFURAN-5-YL COMPOUNDS AS DYRK KINASE INHIBITORS 4SC DISCOVERY GMBH (DE) 2016-03-03 WO disclosed
US-6150385-A VIRICIDE WITH ACTIVITY AGAINST CYTOMEGALO VIRUS (CMV), HERPES VIRUS INCLUDING VARICELLA ZOSTER VIRUS, THE EPSTEIN-BARR VIRUS, THE HERPES SIMPLEX VIRUS, AND THE HUMAN HERPES VIRUS TYPE 8 (HHV-8) PHARMACIA & UPJOHN COMPANY (US) 2000-11-21 US disclosed
WO-1999047507-A2 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1999-09-23 WO disclosed
EP-0567846-B1 Cationic triazatrimethine dyes BAYER AG (DE) 1996-12-04 EP disclosed
US-5328993-A Dyeing plastics; colorfastness, photostability BAYER AKTIENGESELLSCHAFT (DE) 1994-07-12 US disclosed
EP-0567846-A1 Cationic triazatrimethine dyes BAYER AG (DE) 1993-11-03 EP disclosed
EP-0567849-A1 Process for preparing dyes BAYER AG (DE) 1993-11-03 EP disclosed
US-4522944-A ANTIINFLAMMATORY AGENTS AND PAIN KILLERS FARMITALIA CARLO ERBA S.P.A., MILAN ITALY A CORP OF ITALY (IT) 1985-06-11 US disclosed
US-4500715-A CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
US-4281120-A IMMUNE STIMULANTS GRUNENTHAL GMBH (DE) 1981-07-28 US disclosed
US-4268438-A Cationic 1,3,4-thiadiazole dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US 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-10005769-B2 2,3-dihydrobenzofuran-5YL compounds as DYRK kinase inhibitors DYRK2, DYRK1B, DYRK1A ALDH1A1 2116/4885GAA 2202/4885MAPK1 234/4885
US-20160137637-A1 2,3-DIHYDROBENZOFURAN-5YL COMPOUNDS AS DYRK KINASE INHIBITORS DYRK2, DYRK1B, DYRK1A ALDH1A1 2116/4885GAA 2202/4885MAPK1 234/4885

“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.