SCHEMBL2303248

SCHEMBL2303248

COc1ccc(-n2cccc2)c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.59
ALDH1A1 P00352 7/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
THRB P10828 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 5/20 0.48
GAA P10253 4/20 0.48
TDP1 Q9NUW8 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
CYP3A4 P08684 3/20 0.44
NPSR1 Q6W5P4 1/20 0.42
SNCA P37840 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL29767252 1.00 SCN2A (0.59) SCN2AALDH1A1PKMMEN1MAPT
SCHEMBL30758087 0.85 ALDH1A1 (0.48) SCN2AALDH1A1PKMMEN1MAPT
SCHEMBL13997433 0.79 HTR3E (0.51) SCN2AALDH1A1MEN1MAPTKMT2A
SCHEMBL20201233 0.79 KDM4E (0.43) SCN2AALDH1A1MEN1MAPTKMT2A
SCHEMBL11039827 0.76 KDM4E (0.43) SCN2AALDH1A1MAPTKDM4EGAA
SCHEMBL11826455 0.75 ALDH1A1 (0.56) ALDH1A1PKMMAPTTHRBKDM4E
SCHEMBL13082241 0.74 ALDH1A1 (0.60) ALDH1A1PKMMEN1MAPTTHRB
SCHEMBL28034018 0.74 ERN1 (0.53) SCN2AALDH1A1MAPTKDM4EGAA
SCHEMBL27860088 0.73 SCN2A (0.44) SCN2AALDH1A1MEN1MAPTTHRB
SCHEMBL20550647 0.73 SCN2A (0.54) SCN2AALDH1A1MEN1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226342-A1 REACTIVE OXYGEN SPECIES IMAGING AGENTS WASHINGTON UNIVERSITY (US) 2024-07-11 US disclosed
WO-2021147699-A1 PYRIDOHETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-07-29 WO disclosed
US-10973819-B2 Small molecules inhibitors of RAD51 THE UNIVERSITY OF CHICAGO (US) 2021-04-13 US disclosed
US-10973819-B2 Small molecules inhibitors of RAD51 THE UNIVERSITY OF CHICAGO (US) 2021-04-13 US disclosed
US-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-21 US disclosed
US-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-21 US disclosed
US-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US disclosed
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US disclosed
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-22 US disclosed
US-8071597-B2 Pyrazine compounds and uses as PI3K inhibitors MERCK SERONO SA (CH) 2011-12-06 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-3939159-A ANTICONVULSANT, CNS DEPRESSANT AMERICAN HOECHST CORPORATION (US) 1976-02-17 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 (7 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-20240226342-A1 REACTIVE OXYGEN SPECIES IMAGING AGENTS ROS1, NOX4, CYBB SCN2A 3909/4885ALDH1A1 1044/4885PKM 1646/4885
US-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 RAD51, MRE11, DDB1 SCN2A 3741/4885ALDH1A1 4305/4885PKM 4070/4885
US-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 SCN2A 2283/4885ALDH1A1 3396/4885PKM 823/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 SCN2A 2975/4885ALDH1A1 97/4885PKM 2660/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA SCN2A 2369/4885ALDH1A1 2357/4885PKM 871/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA SCN2A 2369/4885ALDH1A1 2357/4885PKM 871/4885
US-10973819-B2 Small molecules inhibitors of RAD51 RAD51, MRE11, DDB1 SCN2A 3741/4885ALDH1A1 4305/4885PKM 4070/4885

“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.