SCHEMBL4607622

SCHEMBL4607622

Cc1ccc2[nH]cnc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
CSNK2A1 P68400 1/20 0.37
PARP1 P09874 2/20 0.37
KDM4E B2RXH2 1/20 0.36
AXL P30530 1/20 0.34
PRKCI P41743 1/20 0.34
PRNP P04156 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL3855175 0.79 MEN1 (0.42) LMNAALDH1A1PKMDPP4MEN1
SCHEMBL4535246 0.79 DPP4 (0.44) LMNAALDH1A1PKMDPP4DPP8
SCHEMBL18663582 0.76 MAPT (0.43) LMNAALDH1A1PKMDPP4DPP8
SCHEMBL1835873 0.76 LMNA (0.48) LMNAALDH1A1PKMDPP4DPP8
SCHEMBL14722640 0.76 LMNA (0.40) LMNAALDH1A1PKMDPP4DPP8
SCHEMBL18687851 0.76 LMNA (0.40) LMNAALDH1A1PKMDPP4MEN1
SCHEMBL3045187 0.76 MEN1 (0.44) LMNAALDH1A1PKMDPP4DPP8
SCHEMBL7348964 0.76 DPP4 (0.42) LMNAALDH1A1PKMDPP4DPP8
SCHEMBL5840003 0.76 CSNK2A1 (0.41) LMNAALDH1A1PKMDPP4MEN1
SCHEMBL18964905 0.76 LMNA (0.40) LMNAALDH1A1PKMDPP4MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110191882-B Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them 株式会社大熊制药 2022-09-13 CN disclosed
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-20 US disclosed
EP-1943229-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
WO-2007048842-A1 BENZIMIDAZOLE DERIVATIVES FOR USE AS BETA-3 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 LMNA 880/4885ALDH1A1 717/4885PKM 1789/4885
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same RNASE1, AARS1, DHPS LMNA 1533/4885ALDH1A1 2364/4885PKM 1153/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B LMNA 1223/4885ALDH1A1 573/4885PKM 1614/4885

“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.