SCHEMBL17097201

SCHEMBL17097201

CC(C)(C)OC(=O)n1cc(Br)c2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35
BUB1 O43683 1/20 0.34
BCHE P06276 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
ALDH1A1 P00352 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL29943539 1.00 HTR6 (0.40) HTR6L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL124286 0.90 HDAC2 (0.41) HTR6L3MBTL1
SCHEMBL3051164 0.89 HTR6 (0.46) HTR6L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL23330894 0.85 L3MBTL1 (0.43) HTR6L3MBTL1BCHEMKNK1BRD4
SCHEMBL23330904 0.84 MAP2K4 (0.41) HTR6L3MBTL1
SCHEMBL22749553 0.84 HTR6 (0.43) HTR6L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL18418500 0.84 HTR6 (0.40) HTR6L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL23330476 0.84 HTR6 (0.40) HTR6L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL29364313 0.83 L3MBTL1 (0.41) HTR6L3MBTL1BCHEBRD4MEN1
SCHEMBL24721572 0.83 HTR6 (0.40) HTR6L3MBTL1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
CN-112724127-B Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2023-02-17 CN disclosed
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 US disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 US disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
CN-114829357-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2022-07-29 CN disclosed
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 US disclosed
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-15 US disclosed
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists Nimbus Saturn, Inc. (US) 2021-06-08 US disclosed
US-10544095-B2 3-indol substituted derivatives, pharmaceutical compositions and methods for use PFIZER INC. (US) 2020-01-28 US disclosed
US-20180222862-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2018-08-09 US disclosed
EP-3334733-A1 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Pfizer Inc (US) 2018-06-20 EP disclosed
US-9873690-B2 3-indol substituted derivatives, pharmaceutical compositions and methods for use PFIZER INC (US) 2018-01-23 US disclosed
WO-2017025868-A1 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PFIZER INC. (US) 2017-02-16 WO disclosed
EP-3119763-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Iteos Therapeutics (BE) 2017-01-25 EP disclosed
US-20160272628-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PFIZER INC. 2016-09-22 US disclosed
WO-2015140717-A9 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-03-24 WO disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
WO-2015140717-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 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 (10 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-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 HTR6 2155/4885L3MBTL1 1271/4885GABRA1 4531/4885
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 HTR6 1679/4885L3MBTL1 4540/4885GABRA1 1095/4885
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists HIPK1, PDXK, IP6K1 HTR6 423/4885L3MBTL1 2183/4885GABRA1 3058/4885
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 47/4885L3MBTL1 3366/4885GABRA1 4812/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HTR6 2155/4885L3MBTL1 1271/4885GABRA1 4531/4885
US-10544095-B2 3-indol substituted derivatives, pharmaceutical compositions and methods for use TDO2, IDO1, IDO2 HTR6 42/4885L3MBTL1 3235/4885GABRA1 4775/4885
US-20180222862-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 49/4885L3MBTL1 3522/4885GABRA1 4763/4885
US-20160272628-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 49/4885L3MBTL1 3522/4885GABRA1 4763/4885
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 HTR6 423/4885L3MBTL1 2008/4885GABRA1 3239/4885
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, IP6K1, PDXK HTR6 399/4885L3MBTL1 4204/4885GABRA1 3042/4885

“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.