SCHEMBL4981379

SCHEMBL4981379

CSc1nc(C)nc(SC)c1N

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.46
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NUDT1 P36639 1/20 0.36
HSP90AA1 P07900 1/20 0.32
MAP3K5 Q99683 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4991590 0.78 HSP90AB1 (0.46) HSP90AB1KDM4ENUDT1HSP90AA1MAP3K5
SCHEMBL9123674 0.76 SMN1; SMN2 (0.36) HSP90AB1HSP90AA1
SCHEMBL3052049 0.70 HSP90AB1 (0.45) HSP90AB1PKMKDM4ENUDT1HSP90AA1
SCHEMBL4491895 0.67 KMT2A (0.43) PKMKDM4ENPSR1
SCHEMBL6899128 0.67 HSP90AB1 (0.41) HSP90AB1KDM4EHSP90AA1MAP3K5
SCHEMBL5064766 0.67 TP53 (0.43) NUDT1MAP3K5
SCHEMBL8808060 0.66 MEN1 (0.42) HSP90AB1KDM4EHSP90AA1
SCHEMBL11038077 0.65 NUDT1 (0.40) HSP90AB1PKMKDM4ENUDT1HSP90AA1
SCHEMBL10327533 0.65 NUDT1 (0.40) HSP90AB1NUDT1MAP3K5
SCHEMBL6366334 0.64 MAPT (0.34) MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414066-B2 Amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2008-08-19 US disclosed
US-7393866-B2 Amide compounds and medications containing the same KOWA COMPANY, LTD. (JP) 2008-07-01 US disclosed
EP-0979823-B1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2006-03-29 EP disclosed
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
US-20050131002-A1 Novel amide compounds and medications containing the same KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-20050131001-A1 Novel amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-6849647-B1 Amide compounds and medications containing the same technical field KOWA COMPANY, LTD. (JP) 2005-02-01 US disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0979823-A1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Company Ltd. (JP) 2000-02-16 EP disclosed
EP-0609960-B1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER (US) 1999-03-03 EP disclosed
US-5656634-A N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1997-08-12 US disclosed
EP-0418071-B1 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER (US) 1995-04-26 EP disclosed
US-5397781-A Pyrimidine derivatives MOCHIDA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-03-14 US disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 US disclosed
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 EP disclosed
EP-0561175-A1 Pyrimidine derivatives and pharmaceutical compostions containing them MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-09-22 EP disclosed
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 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 (3 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-20050131001-A1 Novel amide compounds and medications containing the same technical field ACAT2, SULT2A1, ACAT1 HSP90AB1 1759/4885PKM 3233/4885KDM4E 1007/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 HSP90AB1 1422/4885PKM 2101/4885KDM4E 923/4885
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 HSP90AB1 1914/4885PKM 2877/4885KDM4E 1460/4885

“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.