SCHEMBL246967

SCHEMBL246967

Brc1coc2cnccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
AXL P30530 1/20 0.41
IDO1 P14902 7/20 0.41
TDO2 P48775 7/20 0.41
IMPDH2 P12268 1/20 0.36
CHUK O15111 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PIM1 P11309 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
HASPIN Q8TF76 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL16742968 0.83 AXL (0.41) MTNR1AAXLIDO1TDO2IMPDH2
SCHEMBL8341650 0.75 MTNR1A (0.45) MTNR1AIDO1TDO2KDM4EALDH1A1
SCHEMBL3610557 0.75 MTNR1A (0.45) MTNR1AIDO1TDO2CHUKPIM1
SCHEMBL10293443 0.71 MTNR1A (0.42) MTNR1AIDO1TDO2LMNA
SCHEMBL6849577 0.69 MTNR1A (0.48) MTNR1APIM1KDM4EGAAALDH1A1
SCHEMBL5623557 0.69 TDO2 (0.46) IDO1TDO2LMNA
SCHEMBL14566572 0.69 MTNR1A (0.41) MTNR1AAXLIDO1TDO2PIM1
SCHEMBL29874833 0.69 MAOB (0.44) KDM4EALDH1A1MAOAMAOB
SCHEMBL6008 0.69 MAOB (0.44) KDM4EALDH1A1MAOAMAOB
SCHEMBL20858460 0.68 MTNR1A (0.40) MTNR1AIDO1TDO2CHUKPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
CN-112724127-A Five-membered heterocyclic oxocarboxylic acid compound and medical application thereof 中国科学院上海药物研究所 2021-04-30 CN disclosed
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 EP disclosed
US-8981101-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2015-03-17 US disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
EP-2746281-A2 7-azaindole derivatives Merck Patent GmbH (DE) 2014-06-25 EP disclosed
EP-2670748-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2013-12-11 EP disclosed
US-20130310391-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
EP-2585461-A1 2,4- DIARYL - SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER Merck Patent GmbH (DE) 2013-05-01 EP disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
WO-2012104007-A2 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-09 WO disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 WO disclosed
WO-2012000595-A1 2,4- DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2012-01-05 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 (3 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-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 MTNR1A 2176/4885AXL 1045/4885IDO1 148/4885
US-20130310391-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 MTNR1A 2428/4885AXL 3584/4885IDO1 2194/4885
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 MTNR1A 2433/4885AXL 1026/4885IDO1 2183/4885

“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.