SCHEMBL2136936

SCHEMBL2136936

CN1C(=O)[N]C(=O)c2c1ncn2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.32
PIK3CD O00329 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
NTSR1 P30989 1/20 0.32
MC3R P41968 1/20 0.32
NOTUM Q6P988 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 2/20 0.30
PMP22 Q01453 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20011291 0.67 GDA (0.31) GDAALDH1A1TSHRCYP3A4PMP22
SCHEMBL31685444 0.63 ALDH1A1 (0.38) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL20011085 0.60 GDA (0.32) GDAALDH1A1TSHRCYP3A4PMP22
SCHEMBL20151714 0.59
SCHEMBL18134852 0.58 HTR1A (0.34)
SCHEMBL14902045 0.58 PNP (0.46) GDAPIK3CDPOLBADORA3CNR1
SCHEMBL4407924 0.57 ADRA2C (0.33)
SCHEMBL6860825 0.57 MEN1 (0.44) BLM
SCHEMBL24328585 0.55 DRD4 (0.51)
SCHEMBL4409585 0.53 GSK3A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924334-A1 3,6-DISUBSTITUTED-2-PYRIDINALDOXIME SCAFFOLDS Centre national de la recherche scientifique (FR) 2021-12-22 EP claimed
WO-2020165432-A1 3,6-DISUBSTITUTED-2-PYRIDINALDOXIME SCAFFOLDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-08-20 WO claimed
EP-3696170-A1 3,6-DISUBSTITUTED-2-PYRIDINALDOXIME SCAFFOLDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-08-19 EP claimed
US-20060211713-A1 Compounds having selective hydrolytic potentials CELL THERAPEUTICS, INC. 2006-09-21 US claimed
EP-0739203-A4 METHOD FOR TREATING DISEASES MEDIATED BY CELLULAR PROLIFERATION IN RESPONSE TO PDGF, EGF, FGF AND VEGF CELL THERAPEUTICS INC (US) 2000-12-20 EP claimed
US-5985926-A VIRICIDES OF AMINE COMPOUNDS AND HYDROCARBONS CELL THERAPEUTICS, INC. (US) 1999-11-16 US claimed
US-5889011-A THERAPY FOR SEPSIS; ORGAN TOXICITY, ALOPECIA, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES CELL THERAPEUTICS, INC. (US) 1999-03-30 US claimed
US-5807861-A Amine substituted xanthinyl compounds CELL THERAPEUTICS, INC. (US) 1998-09-15 US claimed
US-5801181-A Amino alcohol substituted cyclic compounds CELL THERAPEUTICS, INC. (US) 1998-09-01 US claimed
US-5756511-A Method for treating symptoms of a neurodegenerative condition CELL THERAPEUTICS, INC. (US) 1998-05-26 US claimed
US-4883796-A Oxime ethers of 2,6-dioxabicyclo(3.3.0)octanones, and compositions and methods for treatment of a cardiac disease or circulatory with them HEINRICH MACK NACHF. (DE) 1989-11-28 US claimed
EP-0171005-B1 XANTHINYLMETHYLTHIAZOLIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1989-11-23 EP claimed
EP-0198190-B1 COMPOUNDS HAVING ANTIPLATELET AGGREGATION ACTIVITY, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELLEM INDUSTRIA FARMACEUTICA S.p.A. (IT) 1989-05-31 EP claimed
EP-0284752-A1 Oxime ethers of 2,6-dioxabicyclo[3.3.0]octanones Heinrich Mack Nachf. (DE) 1988-10-05 EP claimed
US-4737502-A DIMETHYLXANTHINYL-SUBSTITUTED 4,5,6,7-TETRAHYDROTHIENO(3,2-C)P PYRIDINES ELLEM INDUSTRIA FARMACEUTICA S.P.A. (IT) 1988-04-12 US claimed
EP-0199190-A2 Separating element for separating solid particles, suspended in a gaseous current, by centrifugal force in a cylindrical whirl chamber Anton Piller GmbH & Co. KG (DE) 1986-10-29 EP claimed
EP-0198190-A2 Compounds having antiplatelet aggregation activity, a process for the preparation thereof and pharmaceutical compositions containing them ELLEM INDUSTRIA FARMACEUTICA S.p.A. (IT) 1986-10-22 EP claimed
EP-0171005-A2 Xanthinylmethylthiazolidines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1986-02-12 EP claimed
US-4535158-A CHEMICXAL INTERMEDIATES FOR CARDIOTONIC AGENTS DR. WILLMAR SCHWABE GMBH & CO. 1985-08-13 US claimed
EP-0044932-B1 OPTIONALLY N-SUBSTITUTED AMINO-DEOXY-1,4;3,6-DIANHYDRO-HEXITE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR APPLICATION Dr. Willmar Schwabe GmbH & Co. (DE) 1985-04-03 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060211713-A1 Compounds having selective hydrolytic potentials CTSS, CTSE, GAA GDA 299/4885PIK3CD 1622/4885POLB 420/4885

“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.