SCHEMBL317290

SCHEMBL317290

Cc1cc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
CYP2A6 P11509 1/20 0.53
KEAP1 Q14145 1/20 0.53
KIF11 P52732 5/20 0.51
AXL P30530 1/20 0.50
HRH4 Q9H3N8 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BRD4 O60885 1/20 0.44
NPBWR1 P48145 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CHRNA7 P36544 1/20 0.41
METAP2 P50579 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2972649 0.85 MAPT (0.60) MAPTCYP2A6KEAP1KIF11MEN1
SCHEMBL2600053 0.82 CYP2A6 (0.55) MAPTCYP2A6KEAP1KIF11AXL
SCHEMBL22330405 0.81 KIF11 (0.50) MAPTKIF11HRH4MEN1KMT2A
SCHEMBL22185221 0.79 GRM1 (0.57) MAPTKIF11HRH4MEN1KMT2A
SCHEMBL27290612 0.77 HRH4 (0.47) KIF11HRH4MEN1KMT2AKDM4E
SCHEMBL12777894 0.77 KIF11 (0.44) MAPTKIF11HRH4MEN1KMT2A
SCHEMBL22996085 0.77 NR3C1 (0.45) KIF11HRH4MEN1KMT2AKDM4E
SCHEMBL6092073 0.77 CYP2A6 (0.49) MAPTCYP2A6KEAP1AXLMEN1
SCHEMBL13463363 0.77 CYP2A6 (0.49) MAPTCYP2A6KEAP1AXLMEN1
SCHEMBL2534572 0.77 HRH4 (0.44) MAPTKIF11HRH4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109926-A1 SPIROOXINDOLE COMPOUND AND USE THEREOF IN PREPARATION OF PROTEASE INHIBITOR AS ANTIVIRAL DRUG 南京药石科技股份有限公司 2023-06-22 WO disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
WO-2019157417-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-15 WO disclosed
WO-2019046318-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
CN-104583208-B Can be used for treating substituted 3,4-dihydro-2H-pyrido [1,2-a] pyrazine-1,6-derovatives of (especially) Alzheimer 杨森制药公司 2016-09-28 CN disclosed
EP-2850083-B1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE JANSSEN PHARMACEUTICALS INC (US) 2016-04-27 EP disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 US disclosed
CN-104583208-A Substituted 3, 4-dihydro-2h-pyrido[1,2-a]pyrazine-1,6-dione derivatives useful for the treatment of (inter alia) alzheimer's disease JANSSEN PHARMACEUTICALS INC 2015-04-29 CN disclosed
EP-2850083-A1 SUBSTITUTED 3, 4 - DIHYDRO - 2H - PYRIDO [1, 2 -A]PYRAZINE - 1, 6 - DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE Janssen Pharmaceuticals, Inc. (US) 2015-03-25 EP disclosed
CN-103502237-A FAAH inhibitors IRONWOOD PHARMACEUTICALS INC 2014-01-08 CN disclosed
WO-2013171712-A1 SUBSTITUTED 3, 4 - DIHYDRO - 2H - PYRIDO [1, 2 -A] PYRAZINE - 1, 6 - DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE Janssen Pharmaceuticals, Inc. (US) 2013-11-21 WO disclosed
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 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 (5 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 MAPT 2642/4885CYP2A6 181/4885KEAP1 410/4885
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 MAPT 4884/4885CYP2A6 2337/4885KEAP1 2505/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 MAPT 4884/4885CYP2A6 2337/4885KEAP1 2505/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 MAPT 4719/4885CYP2A6 1761/4885KEAP1 739/4885
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 MAPT 127/4885CYP2A6 390/4885KEAP1 1104/4885

“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.