SCHEMBL536721

SCHEMBL536721

O=C1C=CC2=Nc3ccccc3C2=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
APAF1 O14727 2/20 0.38
GALK1 P51570 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TSHR P16473 1/20 0.38
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 3/20 0.35
RECQL P46063 3/20 0.34
SRC P12931 2/20 0.34
CTRB1 P17538 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34

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
SCHEMBL30997931 1.00 MAPT (0.38) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL28672198 0.82
SCHEMBL4555851 0.72 IDO1 (0.37) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3348606 0.69 MAOA (0.38) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL30804593 0.69 MAOA (0.38) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL4515365 0.69 IDO1 (0.54) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL1899659 0.68 MAPT (0.37) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL8690288 0.67 MEN1 (0.59) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL21316073 0.66 MEN1 (0.63) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL28418546 0.66 MAPT (0.40) MAPTKMT2ALMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864089-B Indolopyridone drug molecule and preparation method and application thereof 日照巴洛特药业有限公司 2020-01-10 CN claimed
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 EP disclosed
CN-113861193-A Method for preparing indolopyridyl tetralone and derivatives thereof by photoinitiated free radical series reaction and products 西南大学 2021-12-31 CN disclosed
CN-108864089-B Indolopyridone drug molecule and preparation method and application thereof 日照巴洛特药业有限公司 2020-01-10 CN disclosed
CN-108864089-B Indolopyridone drug molecule and preparation method and application thereof 日照巴洛特药业有限公司 2020-01-10 CN disclosed
CN-108864089-B Indolopyridone drug molecule and preparation method and application thereof 日照巴洛特药业有限公司 2020-01-10 CN disclosed
US-8513205-B2 Potent chimeric NRTI-NNRTI bifunctional inhibitors of HIV-1 reverse transcriptase YALE UNIVERSITY (US) 2013-08-20 US disclosed
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
EP-2414344-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
EP-2414344-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
US-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE ANDERSON KAREN S (US) 2011-12-22 US disclosed
WO-2011073959-A2 CRYSTAL STRUCTURE OF THE HIV-1 REVERSE TRANSCRIPTASE BOUND TO A NUCLEOTIDE-COMPETITIVE REVERSE TRANSCRIPTASE INHIBITOR AND THE USE THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2011-06-23 WO disclosed
WO-2010114896-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
WO-2010114896-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
WO-2009126293-A2 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE YALE UNIVERSITY (US) 2009-10-15 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 (2 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-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE NAMPT, NAPRT, DNTT MAPT 314/4885MEN1 4826/4885KMT2A 199/4885
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS MKI67, CCNI, CDK4 MAPT 1367/4885MEN1 788/4885KMT2A 2288/4885

“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.