SCHEMBL4918595

SCHEMBL4918595

COc1ccc2nc(NC(C)=O)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 1.00
RAB9A P51151 8/20 1.00
DYRK1A Q13627 5/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
HTT P42858 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C19 P33261 1/20 1.00
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
MAPT P10636 2/20 0.77
ALDH1A1 P00352 2/20 0.77
KDM4E B2RXH2 1/20 0.77
GAA P10253 1/20 0.77
HPGD P15428 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
SCD O00767 5/20 0.74
ATAD2 Q6PL18 1/20 0.74
CASP2 P42575 1/20 0.72
TSHR P16473 1/20 0.70

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
SCHEMBL10170615 0.89 DYRK1A (0.80) NPC1RAB9ADYRK1ASMN1; SMN2HTT
SCHEMBL31061590 0.89 DYRK1A (1.00) NPC1RAB9ADYRK1ASMN1; SMN2HTT
SCHEMBL4910697 0.87 SCD (0.82) NPC1RAB9ADYRK1ASMN1; SMN2HTT
SCHEMBL7786534 0.87 CASP2 (0.77) NPC1RAB9ADYRK1ASMN1; SMN2HTT
SCHEMBL16681363 0.86 SCD (0.88) NPC1RAB9ADYRK1ASMN1; SMN2HTT
SCHEMBL11549742 0.86 NPC1 (0.76) NPC1RAB9ADYRK1ASMN1; SMN2HTT
SCHEMBL3873624 0.86 PIK3CG (0.76) NPC1RAB9ADYRK1ASMN1; SMN2HTT
SCHEMBL31243 0.85 SCD (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4922394 0.85 ATAD2 (1.00) NPC1RAB9ADYRK1ASMN1; SMN2HTT
SCHEMBL9332913 0.85 CASP2 (0.79) NPC1RAB9ADYRK1ASMN1; SMN2HTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3959200-A1 NEW TRIAZOLE AND TRIAZOLOTHIADIAZINE DERIVATIVES EXERTING CYTOTOXIC AND APOPTOTIC EFFECTS ON A549 CELLS THROUGH AKT INHIBITION Anadolu Universitesi (TR) 2022-03-02 EP claimed
EP-1680431-A1 BENZOTHIAZOLE AND THIAZOLE'5,5-B!PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-07-19 EP claimed
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-06-16 US claimed
WO-2005037845-A1 BENZOTHIAZOLE AND THIAZOLE[5,5-B] PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-04-28 WO claimed
US-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS CELTAXSYS, INC. 2010-04-15 US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-06-16 US disclosed
WO-2005037845-A1 BENZOTHIAZOLE AND THIAZOLE[5,5-B] PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-04-28 WO 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-20100093747-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS PMAIP1, CDC42, DCX NPC1 1251/4885RAB9A 826/4885DYRK1A 4689/4885
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors UBQLN1, UBE2T, NEDD4 NPC1 1713/4885RAB9A 3792/4885DYRK1A 3003/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 NPC1 3462/4885RAB9A 3771/4885DYRK1A 1473/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 NPC1 4880/4885RAB9A 2090/4885DYRK1A 2423/4885

“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.