Sugi Predict

Sugi Predict / Compounds / SCHEMBL12222

SCHEMBL12222

SCHEMBL12222

Cc1ccc2[nH]nc(C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 9/20 0.57
▸ MAPK1 P28482 5/20 0.56
▸ MAPKAPK3 Q16644 5/20 0.56
▸ MAPK6 Q16659 5/20 0.56
▸ MAPKAPK2 P49137 4/20 0.56
▸ MAPKAPK5 Q8IW41 3/20 0.56
▸ ITK Q08881 3/20 0.51
▸ ADORA2A P29274 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ ACHE P22303 1/20 0.47
▸ FADS1 O60427 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ JAK2 O60674 1/20 0.42

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
SCHEMBL29769133 1.00 MAP2K4 (0.57) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL19188029 0.84 JAK2 (0.57) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL31552439 0.83 ITK (0.53) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL12247 0.83 ITK (0.53) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL24414954 0.81 MAP2K4 (0.54) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL18944077 0.81 MAP2K4 (0.54) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL3657599 0.81 JAK2 (0.60) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL29521013 0.81 JAK2 (0.60) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL14493350 0.79 MAP2K4 (0.53) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL31584704 0.79 MAP2K4 (0.53) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 — — US claimed
EP-0837855-A4 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS DU PONT MERCK PHARMA (US) 1998-09-02 — — EP claimed
EP-0837855-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-29 — — EP claimed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 — — EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 — — US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 — — US claimed
WO-1997008150-A1 SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-06 — — WO claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 — — WO claimed
WO-1996029329-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-26 — — WO claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 — — US claimed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 — — US disclosed
EP-4398362-A1 POLYMER SOLID ELECTROLYTE AND APPLICATION Nanjing Bochi New Energy Co., Ltd. (CN) 2024-07-10 — — EP disclosed
CN-118176195-A Pyrazolo [3,4-d ] pyrimidine-3-ketone compound and medical application thereof 正大天晴药业集团股份有限公司 2024-06-11 — — CN disclosed
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 — — US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 — — US disclosed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 — — US disclosed
WO-1997008150-A1 SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-06 — — WO disclosed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 — — WO disclosed
WO-1996029329-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-26 — — WO disclosed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 — — 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 (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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT MAP2K4 3097/4885MAPK1 3461/4885MAPKAPK3 3163/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A MAP2K4 629/4885MAPK1 38/4885MAPKAPK3 118/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 MAP2K4 4883/4885MAPK1 4173/4885MAPKAPK3 4673/4885

“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.