Sugi Predict

Sugi Predict / Compounds / SCHEMBL504843

SCHEMBL504843

SCHEMBL504843

CC(C)(C)OC(=O)NCCCCCCCCCCCCNC(=Nc1ccncc1)NC#N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CA12 O43570 5/20 0.40
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA9 Q16790 5/20 0.40
▸ LATS1 O95835 2/20 0.40
▸ MAPKAPK2 P49137 2/20 0.39
▸ CYP17A1 P05093 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL504842 1.00 CYP3A4 (0.44) CYP3A4TDP1CSNK2A2CSNK2A1MAOA
SCHEMBL7684354 1.00 CYP3A4 (0.44) CYP3A4TDP1CSNK2A2CSNK2A1MAOA
SCHEMBL7262254 1.00 CYP3A4 (0.44) CYP3A4TDP1CSNK2A2CSNK2A1MAOA
SCHEMBL6949196 1.00 CYP3A4 (0.44) CYP3A4TDP1CSNK2A2CSNK2A1MAOA
SCHEMBL7256799 0.87 MAPKAPK2 (0.41) CYP3A4TDP1CSNK2A2CSNK2A1MAOA
SCHEMBL7256797 0.87 MAPKAPK2 (0.41) CYP3A4TDP1CSNK2A2CSNK2A1MAOA
SCHEMBL7262252 0.83 ACHE (0.44) —
SCHEMBL7681578 0.82 CYP3A4 (0.42) CYP3A4TDP1MAOAMAOBCA12
SCHEMBL7681587 0.82 CYP3A4 (0.42) CYP3A4TDP1MAOAMAOBCA12
SCHEMBL7261280 0.82 TDP1 (0.39) CYP3A4TDP1MAOAMAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN MICHELE SCI-TECH DEVELOPMENT CO., LTD. (CN) 2012-02-02 — — US claimed
EP-2394649-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-12-14 — — EP claimed
EP-1411984-B1 COMBINATION MEDICAMENT FOR TREATMENT OF NEOPLASTIC DISEASES WHICH CONTAINS CYANOGUANIDINE IKK INHIBITORS AND A SECOND ANTI-NEOPLASTIC DRUG LEO PHARMA AS (DK) 2008-05-07 — — EP claimed
US-6646129-B2 Treatment of psoriasis and skin cancer LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-11-11 — — US claimed
US-6642215-B2 Using cyanoguanidine compound; anticancer agents LEO PHARMA A/S (DK) 2003-11-04 — — US claimed
EP-0984936-B1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-09-03 — — EP claimed
US-20030045515-A1 Combination medicament for treatment of neoplastic diseases BINDERUP LISE (DK) 2003-03-06 — — US claimed
US-20030004192-A1 Method of modulating NF-kB activity LEO PHARMA A/S (DK) 2003-01-02 — — US claimed
WO-2002094265-A1 A METHOD OF MODULATING NF-$G(K)B ACTIVITY LEO PHARMA A/S (DK) 2002-11-28 — — WO claimed
US-20020107400-A1 Cyanoguanidines as cell proliferation inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S 2002-08-08 — — US claimed
EP-2894149-B1 Cyanoguanidine prodrugs LEO PHARMA AS (DK) 2017-08-02 — — EP disclosed
EP-1339686-B1 CYANOGUANIDINE PRODRUGS LEO PHARMA AS (DK) 2015-09-16 — — EP disclosed
EP-2894149-A1 Cyanoguanidine prodrugs LEO PHARMA A/S (DK) 2015-07-15 — — EP disclosed
US-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN MICHELE SCI-TECH DEVELOPMENT CO., LTD. (CN) 2012-02-02 — — US disclosed
EP-2394649-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-12-14 — — EP disclosed
US-6525077-B2 Antiproliferative agents LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-02-25 — — US disclosed
US-20030004192-A1 Method of modulating NF-kB activity LEO PHARMA A/S (DK) 2003-01-02 — — US disclosed
WO-2002094265-A1 A METHOD OF MODULATING NF-$G(K)B ACTIVITY LEO PHARMA A/S (DK) 2002-11-28 — — WO disclosed
US-20020165201-A1 Cyanoguanidine prodrugs LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-11-07 — — US disclosed
US-20020107400-A1 Cyanoguanidines as cell proliferation inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S 2002-08-08 — — 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 (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-20030045515-A1 Combination medicament for treatment of neoplastic diseases CHUK, IKBKB, IKBKE CYP3A4 3014/4885TDP1 1512/4885CSNK2A2 38/4885
US-20030004192-A1 Method of modulating NF-kB activity IKBKB, NFKBIA, NFKB2 CYP3A4 3181/4885TDP1 1868/4885CSNK2A2 227/4885
US-20020165201-A1 Cyanoguanidine prodrugs CBR1, SIGMAR1, ROR1 CYP3A4 175/4885TDP1 2624/4885CSNK2A2 1321/4885
US-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF PLPBP, PYGL, QDPR CYP3A4 117/4885TDP1 2081/4885CSNK2A2 178/4885
US-20020107400-A1 Cyanoguanidines as cell proliferation inhibitors CCNC, MKI67, CCNI CYP3A4 1525/4885TDP1 1512/4885CSNK2A2 1034/4885

“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.