SCHEMBL2014782

SCHEMBL2014782

[CH2]c1ccc2[nH]ncc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.59
ROCK2 O75116 4/20 0.59
MAPT P10636 3/20 0.59
ROCK1 Q13464 2/20 0.59
METAP2 P50579 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CSNK2A1 P68400 1/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
HIF1A Q16665 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
GSK3B P49841 3/20 0.53
DYRK1A Q13627 3/20 0.53
CLK1 P49759 2/20 0.53
DYRK3 O43781 1/20 0.53
CLK2 P49760 1/20 0.53

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
SCHEMBL7216720 0.83 NOS1 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL28234900 0.81 NOS1 (0.57) NOS1MAPTMETAP2KDM4EMEN1
SCHEMBL30424938 0.78 NOS1 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL907620 0.74 NOS1 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL117208 0.74 ROCK2 (1.00) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL31315056 0.74 NOS1 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL5562 0.74 NOS1 (1.00) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL3995547 0.74 NOS1 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL277777 0.74 ROCK2 (0.59) NOS1ROCK2MAPTROCK1METAP2
SCHEMBL264176 0.74 NOS1 (1.00) NOS1ROCK2MAPTROCK1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015716-A Imidazo [1,2-b] pyridazine derivatives for the treatment of C-MET tyrosine kinase mediated disease NOVARTIS AG 2011-04-13 CN claimed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US 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-1996029329-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-26 WO claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US claimed
US-20180327401-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2018-11-15 US disclosed
CN-105121415-B Hdac inhibitor 生物马林药物股份有限公司 2018-10-12 CN disclosed
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US disclosed
CN-108495851-A Substituted benzamide and its application method 基因泰克公司 2018-09-04 CN disclosed
CN-108137511-A Prepare (E) -3- (4- ((E) -2- (the chloro- 4- fluorophenyls of 2-) -1- (1H- indazole -5- bases) but-1-ene -1- bases) phenyl) acrylic acid 豪夫迈·罗氏有限公司 2018-06-08 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO disclosed
CN-1067053-A Pyrazines derivatives and preparation method thereof OTSUKA PHARMA CO LTD (JP) 1992-12-16 CN disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 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 (2 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-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 NOS1 103/4885ROCK2 2366/4885MAPT 4730/4885
US-20180327401-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 NOS1 103/4885ROCK2 2366/4885MAPT 4730/4885

“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.