SCHEMBL3391407

SCHEMBL3391407

Nc1nc2c[c]ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MAPT P10636 1/20 0.43
AXL P30530 1/20 0.43
GFER P55789 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3CA P42336 5/20 0.42
PIK3CD O00329 5/20 0.42
PIK3CG P48736 5/20 0.42
PIK3CB P42338 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
PI4KA P42356 5/20 0.40
PI4KB Q9UBF8 5/20 0.40
NPC1 O15118 2/20 0.40
SCN4A P35499 2/20 0.40

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
SCHEMBL406704 0.84 RAB9A (0.47) RAB9AMAPTAXLGFERGAA
SCHEMBL693161 0.76 SMN1; SMN2 (0.47) RAB9AMAPTGAAHTTL3MBTL1
SCHEMBL6092113 0.76 KMT2A (0.37) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL18230244 0.76 KDM4E (0.30) RAB9AMAPTGAAALDH1A1NPC1
SCHEMBL2835433 0.76 UBE2T (0.58) RAB9AMAPTGAAHTTL3MBTL1
SCHEMBL16986871 0.74 ALDH1A1 (0.38) RAB9AMAPTGFERL3MBTL1SMN1; SMN2
SCHEMBL6972136 0.73 CASR (0.36)
SCHEMBL10913557 0.73 CA2 (0.60) KDM4ELMNAPKMKMT2ATDP1
Water SCHEMBL28456701 0.72 PI4KA (0.56) RAB9AMAPTAXLGFERGAA
Water SCHEMBL4365800 0.72 PI4KA (0.56) RAB9AMAPTAXLGFERGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US claimed
US-7339078-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-03-04 US claimed
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide G.D. SEARLE & CO. (US) 2007-02-15 US claimed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 US claimed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 US claimed
US-5753660-A Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-05-19 US claimed
EP-0815124-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-01-07 EP claimed
US-5705500-A HIV TREATMENT G.D. SEARLE & CO. (US) 1998-01-06 US claimed
EP-0813519-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP claimed
EP-0813543-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP claimed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO claimed
WO-1996028464-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO claimed
WO-1996028418-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO claimed
WO-1996028463-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO claimed
WO-1996028465-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO claimed

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-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide DNPEP, PREP, ANPEP RAB9A 3516/4885MAPT 3126/4885AXL 4234/4885
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP RAB9A 2317/4885MAPT 3587/4885AXL 2651/4885

“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.