SCHEMBL4076727

SCHEMBL4076727

CC(C)(C)n1ccc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
CYP2C19 P33261 3/20 0.42
CDC7 O00311 1/20 0.42
CDK2 P24941 1/20 0.42
ATM Q13315 3/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTNR1A P48039 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
SLC22A12 Q96S37 6/20 0.41
PKM P14618 1/20 0.40
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL13597596 0.85 PARP1 (0.44) PARP1L3MBTL1CYP2C19CDC7CDK2
SCHEMBL12115799 0.82 PARP1 (0.41) PARP1L3MBTL1CYP2C19CDC7CDK2
SCHEMBL24597088 0.82 ATM (0.44) PARP1L3MBTL1CYP2C19CDC7CDK2
SCHEMBL8513222 0.81 PARP1 (0.46) PARP1L3MBTL1CYP2C19CDC7CDK2
SCHEMBL29604551 0.81 PARP1 (0.46) PARP1L3MBTL1CYP2C19CDC7CDK2
SCHEMBL30313295 0.77 CYP2C19 (0.46) PARP1L3MBTL1CYP2C19CDC7CDK2
SCHEMBL22166675 0.76 MTNR1A (0.42) PARP1L3MBTL1CYP2C19CDC7CDK2
SCHEMBL21931157 0.75 MAPT (0.44) L3MBTL1CYP2C19KDM4ECYP1A2CYP3A4
Tert-Butyl Formate SCHEMBL28322954 0.74 PARP1 (0.38) PARP1L3MBTL1CYP2C19CDC7CDK2
SCHEMBL256379 0.74 PARP1 (0.50) PARP1L3MBTL1CYP2C19CDC7CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218027-A1 NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-07-04 US disclosed
US-20240218027-A1 NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-07-04 US disclosed
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2023-12-14 US disclosed
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2023-12-14 US disclosed
US-11834479-B2 Nucleoside triphosphate transporter and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2023-12-05 US disclosed
US-11834479-B2 Nucleoside triphosphate transporter and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2023-12-05 US disclosed
US-20230348434-A1 NOVEL PYRIMIDINES AS EGFR-INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2023-11-02 US disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-11761007-B2 Production of unnatural nucleotides using a CRISPR/Cas9 system THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-19 US disclosed
US-7595306-B2 Method of treating neurodegenerative disease NATIONAL INSTITUTE OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-29 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-03-13 US disclosed
US-20070293511-A1 Crf Receptor Antagonists and Methods SB PHARMCO PUERTO RICO INC. AND NEUROCRINE BIOSCIENCES, INC., A CORPORATION 2007-12-20 US disclosed
US-20070275914-A1 Therapeutic Compositions BANK OF AMERICA, N.A. 2007-11-29 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
US-20070161595-A1 Method of treating neurodegenerative disease MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-07-12 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 (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-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA PARP1 916/4885L3MBTL1 2913/4885CYP2C19 4873/4885
US-20230348434-A1 NOVEL PYRIMIDINES AS EGFR-INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB3 PARP1 1758/4885L3MBTL1 4204/4885CYP2C19 3015/4885
US-20070293511-A1 Crf Receptor Antagonists and Methods CRHR1, CRHR2, CRH PARP1 3926/4885L3MBTL1 3498/4885CYP2C19 457/4885
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use GRM5, GRIK5, GRM3 PARP1 4864/4885L3MBTL1 2949/4885CYP2C19 2148/4885
US-20070161595-A1 Method of treating neurodegenerative disease SNCA, PARK7, NLN PARP1 2569/4885L3MBTL1 1242/4885CYP2C19 4884/4885
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto CRHR1, CRHR2, SCTR PARP1 4442/4885L3MBTL1 3246/4885CYP2C19 517/4885
US-20240218027-A1 NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF SLC35B2, SLC29A2, PNP PARP1 3475/4885L3MBTL1 3976/4885CYP2C19 3333/4885
US-20070275914-A1 Therapeutic Compositions AGO2, EXOSC5, RNASE1 PARP1 2209/4885L3MBTL1 568/4885CYP2C19 4431/4885
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH PARP1 4265/4885L3MBTL1 3109/4885CYP2C19 465/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 PARP1 3/4885L3MBTL1 1520/4885CYP2C19 4218/4885
US-11834479-B2 Nucleoside triphosphate transporter and uses thereof SLC35B2, SLC29A2, PNP PARP1 3475/4885L3MBTL1 3976/4885CYP2C19 3333/4885
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CAT, MPO, NISCH PARP1 4265/4885L3MBTL1 3109/4885CYP2C19 465/4885

“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.