SCHEMBL2619220

SCHEMBL2619220

CNC(=O)c1cc(C)[nH]n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.62
HCAR2 Q8TDS4 1/20 0.62
ALPL P05186 2/20 0.58
LMNA P02545 3/20 0.55
GAA P10253 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
CYP3A4 P08684 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL16027471 0.82 ALPL (0.61) DAOHCAR2ALPLLMNAGAA
SCHEMBL164683 0.80 BAZ2B (0.42) DAOHCAR2ALPLLMNAGAA
SCHEMBL23185764 0.80 CHEK1 (0.57) DAOHCAR2ALPLLMNAGAA
SCHEMBL18896222 0.79 HDAC3 (0.61) DAOHCAR2ALPLLMNAGAA
SCHEMBL16979044 0.79 HCAR2 (0.66) HCAR2ALPLHDAC3HDAC4HDAC1
SCHEMBL18896203 0.79 DAO (0.56) DAOHCAR2ALPLLMNAGAA
SCHEMBL28875184 0.79 HCAR2 (0.72) DAOHCAR2ALPLLMNAGAA
SCHEMBL12694613 0.78 BAZ2B (0.41) DAOHCAR2ALPLLMNAGAA
SCHEMBL18236174 0.78 ALPL (0.41) DAOHCAR2ALPLLMNAGAA
SCHEMBL8053488 0.78 HCAR2 (0.46) DAOHCAR2ALPLHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis FONDAZIONE INSTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-12-09 US claimed
EP-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
US-20240383875-A1 Benzimidazole Pyridine Derivatives HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
CN-118591534-A Novel benzimidazole pyridine derivatives 豪夫迈·罗氏有限公司 2024-09-03 CN disclosed
WO-2024050370-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-03-07 WO disclosed
US-11725005-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
US-20230159514-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO disclosed
US-8791091-B2 Aryl dihydropyridinone and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 US disclosed
US-20130143843-A1 ARYL DIHYDROPYRIDINONE AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 US disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7662823-B2 Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-16 US disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 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 (10 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-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP DAO 172/4885HCAR2 817/4885ALPL 264/4885
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 DAO 1837/4885HCAR2 1991/4885ALPL 1881/4885
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 DAO 221/4885HCAR2 661/4885ALPL 432/4885
US-20130143843-A1 ARYL DIHYDROPYRIDINONE AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 DAO 963/4885HCAR2 609/4885ALPL 2769/4885
US-20240383875-A1 Benzimidazole Pyridine Derivatives H1-3, H1-2, H1-4 DAO 2926/4885HCAR2 875/4885ALPL 4369/4885
US-12492193-B2 Pyrazole derivatives for the treatment of cystic fibrosis CFTR, ABCC5, ABCC1 DAO 3174/4885HCAR2 3796/4885ALPL 3433/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 DAO 221/4885HCAR2 661/4885ALPL 432/4885
US-20210161869-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 DAO 1091/4885HCAR2 652/4885ALPL 2875/4885
US-20230159514-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES MAP3K1, PACSIN2, MAP3K3 DAO 3336/4885HCAR2 4221/4885ALPL 3490/4885
US-11725005-B2 Compositions and methods for inhibiting kinases MAP3K1, PACSIN2, MAP3K3 DAO 3336/4885HCAR2 4221/4885ALPL 3490/4885

“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.