SCHEMBL2175580

SCHEMBL2175580

CC(=O)Nc1nc2ccc(C)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 1.00
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C19 P33261 2/20 0.71
CYP2C9 P11712 1/20 0.71
FSCN1 Q16658 1/20 0.71
PDPK1 O15530 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.68
HTT P42858 1/20 0.68
TP53 P04637 1/20 0.67
ACP1 P24666 1/20 0.67
PIK3CG P48736 3/20 0.66
PIK3CA P42336 1/20 0.66
PIK3CB P42338 1/20 0.66
PI4KB Q9UBF8 1/20 0.66
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
PTPN1 P18031 1/20 0.65

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
SCHEMBL130572 0.88 DYRK1A (1.00) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL13486495 0.86 DYRK1A (0.76) DYRK1ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL10936133 0.85 DYRK1A (0.74) DYRK1ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL3870265 0.85 PIK3CG (0.79) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL5019481 0.85 DYRK1A (0.74) DYRK1ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL14113317 0.85 DYRK1A (0.74) DYRK1ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL10170616 0.84 DYRK1A (1.00) DYRK1ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL14189678 0.84 DYRK1A (0.73) DYRK1ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL21028583 0.84 DYRK1A (0.73) DYRK1ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL242000 0.84 DYRK1A (0.72) DYRK1ANPC1RAB9ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613743-B1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES INTELLIKINE LLC (US) 2022-03-16 EP disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed
EP-2427195-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2019-05-01 EP disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2017-10-05 US disclosed
US-7384922-B2 6-11 bridged oxime erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 US disclosed
US-7339078-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-03-04 US disclosed
WO-2007026104-A1 PYRROLOPYRIDINE DERIVATIVES AND USE OF SAME AS PPAR RECEPTOR MODULATORS LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 WO disclosed
WO-2007026097-A1 NOVEL INDOLE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 WO disclosed
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 disclosed
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 disclosed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 US disclosed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 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 (4 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 DYRK1A 4615/4885NPC1 2137/4885RAB9A 3516/4885
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP DYRK1A 4565/4885NPC1 2716/4885RAB9A 2317/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB DYRK1A 852/4885NPC1 3237/4885RAB9A 1648/4885
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB DYRK1A 2694/4885NPC1 1132/4885RAB9A 1042/4885

“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.