SCHEMBL2106050

SCHEMBL2106050

Sc1nc2ccncc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 5/20 0.50
PKM P14618 4/20 0.50
NPC1 O15118 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
METAP1 P53582 2/20 0.49
METAP2 P50579 1/20 0.49
ADORA3 P0DMS8 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KA5 O75582 1/20 0.45
PDE5A O76074 2/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HPSE Q9Y251 1/20 0.43
KRAS P01116 1/20 0.41
TP53 P04637 1/20 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
SCHEMBL3987647 0.83 PDE3B (0.41) SMN1; SMN2ALDH1A1RAB9APKMNPC1
SCHEMBL1170780 0.78 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1RAB9APKMNPC1
SCHEMBL7249651 0.75 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1RAB9APKMNPC1
SCHEMBL879284 0.75 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1RAB9APKMNPC1
SCHEMBL21496798 0.75 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1RAB9APKMNPC1
SCHEMBL15088513 0.75 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1RAB9APKMNPC1
SCHEMBL9698797 0.75 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1RAB9APKMNPC1
SCHEMBL34462940 0.75 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1RAB9APKMNPC1
SCHEMBL18757848 0.73 RAB9A (0.56) SMN1; SMN2ALDH1A1RAB9APKMNPC1
2-Mercaptobenzimidazole SCHEMBL29368206 0.71 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1RAB9APKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026101698-A1 HEPCIDIN MIMETIC COMPOUNDS AND USES THEREOF PROTAGONIST THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-11535607-B2 Isoindolines as HDAC inhibitors VALO HEALTH, INC. (US) 2022-12-27 US disclosed
EP-3362100-B1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2022-06-22 EP disclosed
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS VALO EARLY DISCOVERY, INC. (US) 2021-08-19 US disclosed
EP-3784654-A1 ISOINDOLINES AS HDAC INHIBITORS Valo Early Discovery, Inc. (US) 2021-03-03 EP disclosed
CN-112292370-A Isoindolines as HDAC inhibitors 瓦洛早期发现股份有限公司 2021-01-29 CN disclosed
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
WO-2017064675-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH, INC. (US) 2017-04-20 WO disclosed
US-8163768-B2 4-(4-Hydroxy-3-methyl-phenyl)-2,4,6,7,8,9-hexahydro-pyrazolo[3,4-b]-1,7-naphthyridin-5-one; inhibiting Aurora kinase; inhibiting the proliferation of tumor cells; cancer, psoriasis, leukaemia and lupus AVENTIS PHARMA S.A.. (FR) 2012-04-24 US disclosed
EP-1910366-B1 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2011-08-24 EP disclosed
US-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them AVENTIS PHARMA S.A. (FR) 2008-10-23 US disclosed
EP-1910366-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2008-04-16 EP disclosed
WO-2007012972-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2007-02-01 WO disclosed
US-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 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 (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-11535607-B2 Isoindolines as HDAC inhibitors HDAC1, HDAC2, HDAC3 SMN1; SMN2 3655/4885ALDH1A1 1182/4885RAB9A 4191/4885
US-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them DPYD, DHPS, QDPR SMN1; SMN2 976/4885ALDH1A1 191/4885RAB9A 768/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 SMN1; SMN2 3594/4885ALDH1A1 1133/4885RAB9A 4087/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY SMN1; SMN2 2289/4885ALDH1A1 143/4885RAB9A 3224/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 SMN1; SMN2 3655/4885ALDH1A1 1182/4885RAB9A 4191/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY SMN1; SMN2 2289/4885ALDH1A1 143/4885RAB9A 3224/4885

“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.