SCHEMBL3500223

SCHEMBL3500223

CC(=O)c1cncc(C(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.55
▸ MKNK2 Q9HBH9 1/20 0.55
▸ HCAR2 Q8TDS4 5/20 0.48
▸ CYP11B2 P19099 4/20 0.47
▸ CYP11B1 P15538 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CA5A P35218 1/20 0.46
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ DDO Q99489 1/20 0.43
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL433567 0.91 HCAR2 (0.63) MKNK1MKNK2HCAR2CYP11B2CYP11B1
SCHEMBL31064103 0.91 HCAR2 (0.63) MKNK1MKNK2HCAR2CYP11B2CYP11B1
SCHEMBL3509681 0.89 MKNK1 (0.47) MKNK1MKNK2HCAR2CYP11B2CYP11B1
SCHEMBL21935429 0.89 MKNK1 (0.47) MKNK1MKNK2HCAR2CYP11B2CYP11B1
SCHEMBL4477190 0.89 MKNK1 (0.66) MKNK1MKNK2HCAR2CYP11B2CYP11B1
SCHEMBL3102318 0.85 HCAR2 (0.69) MKNK1MKNK2HCAR2CYP11B2CYP11B1
SCHEMBL2141359 0.85 CA5A (0.56) MKNK1MKNK2HCAR2CYP11B2CYP11B1
SCHEMBL29730943 0.85 CA5A (0.56) MKNK1MKNK2HCAR2CYP11B2CYP11B1
SCHEMBL21607970 0.85 RAF1 (0.48) MKNK1MKNK2CYP11B2CYP11B1CYP1A2
SCHEMBL21729381 0.85 MKNK1 (0.45) MKNK1MKNK2HCAR2CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112608453-B Pyridine-based D-A type cross conjugated polymer, and preparation and application thereof 华中科技大学 2023-05-12 — — CN disclosed
US-11377556-B2 Polyimide-based block copolymer and polyimide-based film comprising the same LG CHEM, LTD. (KR) 2022-07-05 — — US disclosed
US-20210277235-A1 POLYIMIDE-BASED BLOCK COPOLYMER AND POLYIMIDE-BASED FILM COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-09-09 — — US disclosed
US-9644076-B2 Cross-linkers for hydrogels, hydrogels including these cross-linkers and applications thereof Max-Planck-Gesellschaft zur Foerderung der Wissenschafen e. V. (DE) 2017-05-09 — — US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 — — US disclosed
US-20160051575-A1 HEPARIN-BASED COMPOSITIONS AND METHODS FOR THE INHIBITION OF METASTASIS OLIVA EUGENE J (US) 2016-02-25 — — US disclosed
US-9173889-B2 Heparin-based compositions and methods for the inhibition of metastasis OLIVA EUGENE J (US) 2015-11-03 — — US disclosed
US-20150099718-A1 HEPARIN-BASED COMPOSITIONS AND METHODS FOR THE INHIBITION OF METASTASIS OLIVA EUGENE J (US) 2015-04-09 — — US disclosed
US-8912167-B2 Heparin-based compositions and methods for the inhibition of metastasis DIAMOND, PAUL 2014-12-16 — — US disclosed
US-20140127155-A1 Smac mimetic dimers and trimers useful as anti-cancer agents JOYANT PHARMACEUTICALS, INC (US) 2014-05-08 — — US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 — — US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 — — US disclosed
US-20060014760-A1 Compounds and methods of use to treat infectious diseases BUKRINSKY MICHAEL I 2006-01-19 — — US disclosed
US-6906076-B2 Compounds and methods of use to treat infectious diseases CYTOKINE PHARMASCIENCES, INC. (US) 2005-06-14 — — US disclosed
EP-0865434-B1 COMPOUNDS AND THEIR USE TO TREAT INFECTIOUS DISEASES PICOWER INST MED RES (US) 2003-12-17 — — EP disclosed
US-6649797-B2 Contacting protein with a compound that is capable of stable reversible binding with basic amino acid residues of nuclear localization signal of protein for inactivating a nuclear localization signal of a protein THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2003-11-18 — — US disclosed
US-6297253-B1 INACTIVATING A NUCLEAR LOCALIZATION SIGNAL OF A PROTEIN COMPRISING CONTACTING THE PROTEIN WITH AN ARYL CARBONYL COMPOUND THAT FORMS STABLE REVERSIBLE COVALENT INTERACTIONS WITH NEIGHBORING BASIC AMINO ACID RESIDUES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2001-10-02 — — US disclosed
US-6191234-B1 CONJUGATED DIENE-AROMATIC VINYL COPOLYMER OBTAINED BY MODIFYING POLYMER WITH A AMINO GROUP IS USED TO IMPROVE WET SKID RESISTANCE, WEAR RESISTANCE OF AUTOMOBILE TIRE TREAD JSR CORPORATION (JP) 2001-02-20 — — US disclosed
WO-1998016515-A1 COMPOUNDS AND METHODS TO TREAT INFECTIOUS DISEASES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-04-23 — — WO disclosed
US-5574040-A DIALKANOYLPHENYLPYRIMIDINE DERIVATIVES PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1996-11-12 — — 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-20060014760-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 MKNK1 2094/4885MKNK2 2603/4885HCAR2 2362/4885
US-20140127155-A1 Smac mimetic dimers and trimers useful as anti-cancer agents BID, BAD, BIRC3 MKNK1 588/4885MKNK2 945/4885HCAR2 2915/4885
US-20150099718-A1 HEPARIN-BASED COMPOSITIONS AND METHODS FOR THE INHIBITION OF METASTASIS HPSE, SERPINC1, CD44 MKNK1 823/4885MKNK2 671/4885HCAR2 1740/4885
US-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 MKNK1 4037/4885MKNK2 4353/4885HCAR2 300/4885
US-20160051575-A1 HEPARIN-BASED COMPOSITIONS AND METHODS FOR THE INHIBITION OF METASTASIS HPSE, SERPINC1, CD44 MKNK1 823/4885MKNK2 671/4885HCAR2 1740/4885

“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.

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