SCHEMBL2643034

SCHEMBL2643034

CCC(=O)c1cc(C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
CTSA P10619 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
PTGS2 P35354 4/20 0.40
PTGS1 P23219 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30885027 1.00 UHRF1 (0.43) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL2067966 0.85 GABRA1 (0.46) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL17820448 0.85 UHRF1 (0.43) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL29601159 0.83 GSK3B (0.46) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL8119356 0.83 GSK3B (0.46) UHRF1CCR1CCR5CCR8ALDH1A1
Bromide SCHEMBL29601226 0.81 GSK3B (0.44) UHRF1CCR1CCR5CCR8ALDH1A1
Bromide SCHEMBL6173297 0.81 GSK3B (0.44) UHRF1CCR1CCR5CCR8ALDH1A1
Hydrochloric Acid SCHEMBL6788469 0.81 MEN1 (0.41) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL15926105 0.81 CTSA (0.43) UHRF1CCR1CCR5CCR8ALDH1A1
SCHEMBL2642930 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
CN-108467369-B Biaryl amide compounds as kinase inhibitors 诺华股份有限公司 2021-08-20 CN disclosed
US-10709712-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2020-07-14 US disclosed
US-20190175606-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-06-13 US disclosed
US-10245267-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2019-04-02 US disclosed
US-20170260207-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2017-09-14 US disclosed
US-20170260207-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2017-09-14 US disclosed
US-9694016-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2017-07-04 US disclosed
US-9694016-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2017-07-04 US disclosed
US-20160038504-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-11 US disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
WO-2007002126-A1 ALKYL SULFONAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2007-01-04 WO disclosed
US-20060293341-A1 Alkyl sulfonamide derivatives H. LUNDBECK A/S (DK) 2006-12-28 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
CN-1759110-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2006-04-12 CN disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 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 (8 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR UHRF1 3714/4885CCR1 4305/4885CCR5 4089/4885
US-20060293341-A1 Alkyl sulfonamide derivatives NPY5R, NPY1R, NPY4R UHRF1 4804/4885CCR1 1794/4885CCR5 223/4885
US-10709712-B2 Biaryl amide compounds as kinase inhibitors BRAF, RAF1, NRAS UHRF1 2102/4885CCR1 3586/4885CCR5 2722/4885
US-20170260207-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS UHRF1 2102/4885CCR1 3586/4885CCR5 2722/4885
US-20190175606-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS UHRF1 2102/4885CCR1 3586/4885CCR5 2722/4885
US-20160038504-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS UHRF1 2102/4885CCR1 3586/4885CCR5 2722/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 UHRF1 4555/4885CCR1 3864/4885CCR5 3457/4885
US-10245267-B2 Biaryl amide compounds as kinase inhibitors BRAF, RAF1, NRAS UHRF1 2102/4885CCR1 3586/4885CCR5 2722/4885

“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.