SCHEMBL10147161

SCHEMBL10147161

Cc1cncn1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
POLB P06746 1/20 0.42
KCNH2 Q12809 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL12863821 0.79 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2
SCHEMBL30461849 0.77
SCHEMBL21558234 0.77 POLB (0.37) POLBKCNH2DYRK1A
SCHEMBL25212373 0.77 POLB (0.37) POLBKCNH2DYRK1A
SCHEMBL18250234 0.77 POLB (0.37) CYP11B1CYP11B2POLBKCNH2DYRK1A
SCHEMBL13253965 0.75 POLB (0.36) POLBKCNH2DYRK1A
SCHEMBL14417085 0.75 POLB (0.33) POLBKCNH2DYRK1A
SCHEMBL2308094 0.75
SCHEMBL5654439 0.74 CYP11B1 (0.44) CYP11B1CYP11B2POLBKCNH2DYRK1A
SCHEMBL13059068 0.74 POLB (0.35) CYP11B1CYP11B2POLBKCNH2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742168-B2 Process for the production of acetic acid LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2014-06-03 US claimed
US-8637699-B2 Process for the manufacture of acetic acid LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2014-01-28 US claimed
US-20120310009-A1 Process for the Production of Acetic Acid LYONDELL CHEMICAL COMPANY (US) 2012-12-06 US claimed
US-20120264971-A1 PROCESS FOR THE MANUFACTURE OF ACETIC ACID LYONDELLBASELL ACETYLS, LLC 2012-10-18 US claimed
US-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist MEDSHINE DISCOVERY, INC. (CN) 2021-10-26 US disclosed
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist MEDSHINE DISCOVERY, INC. (CN) 2020-07-16 US disclosed
US-10611732-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 US disclosed
US-20190322628-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2019-10-24 US disclosed
US-10370340-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
US-9981919-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICAL N.V. (BE) 2018-05-29 US disclosed
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-11-09 US disclosed
US-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2017-05-04 US disclosed
US-20120310009-A1 Process for the Production of Acetic Acid LYONDELL CHEMICAL COMPANY (US) 2012-12-06 US disclosed
US-20120264971-A1 PROCESS FOR THE MANUFACTURE OF ACETIC ACID LYONDELLBASELL ACETYLS, LLC 2012-10-18 US disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 US disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 US disclosed
US-8080551-B2 HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-20 US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 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 (12 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-20170121292-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 CYP19A1 2049/4885CYP11B1 715/4885CYP11B2 1015/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD CYP19A1 139/4885CYP11B1 360/4885CYP11B2 537/4885
US-20120264971-A1 PROCESS FOR THE MANUFACTURE OF ACETIC ACID DBI, IDH1, ACAD9 CYP19A1 747/4885CYP11B1 12/4885CYP11B2 20/4885
US-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist CCR2, CCR5, CCRL2 CYP19A1 964/4885CYP11B1 158/4885CYP11B2 101/4885
US-20190322628-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 CYP19A1 2049/4885CYP11B1 715/4885CYP11B2 1015/4885
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist CCR2, CCR5, CCRL2 CYP19A1 964/4885CYP11B1 158/4885CYP11B2 101/4885
US-10611732-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 CYP19A1 2049/4885CYP11B1 715/4885CYP11B2 1015/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT CYP19A1 1817/4885CYP11B1 716/4885CYP11B2 893/4885
US-20120310009-A1 Process for the Production of Acetic Acid DBI, FLI1, ACADM CYP19A1 739/4885CYP11B1 13/4885CYP11B2 17/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 CYP19A1 129/4885CYP11B1 116/4885CYP11B2 163/4885
US-10370340-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 CYP19A1 2049/4885CYP11B1 715/4885CYP11B2 1015/4885
US-20170320835-A1 HIV REPLICATION INHIBITING PYRIMIDINES RRM2B, CCNO, RRM2 CYP19A1 2049/4885CYP11B1 715/4885CYP11B2 1015/4885

“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.