SCHEMBL5969912

SCHEMBL5969912

Nc1nc2ccc[c]c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
PIK3CA P42336 2/20 0.37
MAPT P10636 5/20 0.36
RAB9A P51151 5/20 0.36
GAA P10253 3/20 0.36
HTT P42858 2/20 0.36
GFER P55789 2/20 0.36
AXL P30530 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 2/20 0.35
PIK3CG P48736 2/20 0.35
PIP5K1C O60331 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
TP53 P04637 3/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL4750497 0.78 SMN1; SMN2 (0.38) MAPTRAB9AGAAHTTL3MBTL1
SCHEMBL27779595 0.73 NPC1 (0.33) MAPTRAB9AL3MBTL1NPC1
SCHEMBL6973163 0.73 NPC1 (0.44) MAPTRAB9AGAAHTTL3MBTL1
SCHEMBL10505563 0.71 KDM4E (0.56) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9597126 0.70 NPC1 (0.35) MAPTHTTL3MBTL1ALDH1A1KDM4E
SCHEMBL9587476 0.70 KDM4E (0.41) MAPTRAB9AGAAGFERL3MBTL1
SCHEMBL3289198 0.69 SMN1; SMN2 (0.43) PI4KAPI4KBPIK3CAMAPTRAB9A
SCHEMBL5969760 0.68 DYRK1A (0.59) PIK3CARAB9AHTTPIK3CGSMN1; SMN2
SCHEMBL29392710 0.67 PI4KA (0.58) PI4KAPI4KBPIK3CAMAPTRAB9A
SCHEMBL75245 0.67 PI4KA (0.58) PI4KAPI4KBPIK3CAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
EP-3558969-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2019-10-30 EP claimed
WO-2018119036-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. (US) 2018-06-28 WO claimed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US claimed
US-20060128634-A1 Alpha, alpha-disubstituted benzylglycine derivatives as HIV protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-06-15 US claimed
US-6943170-B2 N-cycloalkylglycines as HIV protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-13 US claimed
US-20040142878-A1 N-cycloalkylglycines as HIV protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 US claimed
WO-2004043911-A2 N-CYCLOALKYLGLYCINES AS HIV PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO claimed
WO-2004043355-A2 ALPHA, ALPHA-DISUBSTITUTED BENZYLGLYCINE DERIVATIVES AS HIV PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO claimed
CN-113473971-B Pharmaceutical formulations 詹森药业有限公司 2024-07-02 CN disclosed
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN disclosed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US disclosed
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID JANSSEN PHARMACEUTICA NV (BE) 2023-10-05 US disclosed
CN-115884773-A Pharmaceutical preparation 詹森药业有限公司 2023-03-31 CN disclosed
EP-0815124-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-01-07 EP disclosed
WO-1996028465-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 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-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS GPX4, GPX1, ACAT1 PI4KA 3370/4885PI4KB 3020/4885PIK3CA 4385/4885
US-20060128634-A1 Alpha, alpha-disubstituted benzylglycine derivatives as HIV protease inhibitors PEPD, DNPEP, PREP PI4KA 2600/4885PI4KB 3523/4885PIK3CA 2697/4885
US-20230310413-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A MALT1 INHIBITOR AND A MIXTURE OF POLYETHYLENE GLYCOL WITH A FATTY ACID MALT1, MGAM, MGLL PI4KA 1557/4885PI4KB 1720/4885PIK3CA 486/4885
US-20040142878-A1 N-cycloalkylglycines as HIV protease inhibitors DNPEP, ANPEP, PREP PI4KA 1981/4885PI4KB 3583/4885PIK3CA 1942/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 PI4KA 1711/4885PI4KB 1340/4885PIK3CA 1098/4885

“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.