SCHEMBL2226316

SCHEMBL2226316

Cc1cc(F)cc(Br)c1Br

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.35
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
RAPGEF4 Q8WZA2 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
ALDH1A1 P00352 2/20 0.31
AGTR1 P30556 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2841151 0.86 RAPGEF4 (0.34) ACHEKDM1AKDM1BRAPGEF4PTGS1
SCHEMBL12754484 0.80 APEX1 (0.53) APEX1GAACA2CA4
SCHEMBL8309828 0.79 RAPGEF4 (0.40) ACHEKDM1AKDM1BRAPGEF4PTGS1
SCHEMBL13550027 0.79 GAA (0.36) GAAKDM1AKDM1BRAPGEF4PTGS1
SCHEMBL13550024 0.79 ALDH1A1 (0.33) GAAKDM1AKDM1BRAPGEF4PTGS1
SCHEMBL24724647 0.75 PTGS1 (0.38) PTGS1PTGS2ALDH1A1
SCHEMBL15285867 0.75 CYP3A4 (0.40) ALDH1A1
SCHEMBL8773815 0.75 PTGS2 (0.47) GAAPTGS1PTGS2CA2CA4
SCHEMBL20974621 0.75 GAA (0.31) GAA
SCHEMBL13550039 0.75 CYP3A4 (0.37) GAARAPGEF4ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746435-B1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2022-08-03 EP disclosed
EP-3746435-B1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2022-08-03 EP disclosed
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents PFIZER INC. (US) 2020-05-26 US disclosed
WO-2019150305-A1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2019-08-08 WO disclosed
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-01 US disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-10144731-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 EP disclosed
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests BASF SE (DE) 2010-01-14 US disclosed
CN-101360723-A Process for preparing pyrimidinedione derivatives TAKEDA PHARMACEUTICAL (JP) 2009-02-04 CN disclosed
US-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 US disclosed
US-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 US disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
CN-101133029-A Macrocyclic tertiary amine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO INC (US) 2008-02-27 CN disclosed
WO-2007147701-A1 AZOLINE COMPOUNDS FOR COMBATING ARTHROPOD PESTS BASF SE (DE) 2007-12-27 WO disclosed
WO-2007071585-A1 PESTCIDAL COMPOSITIONS BASF SE (DE) 2007-06-28 WO disclosed
CN-1926128-A Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO INC (JP) 2007-03-07 CN 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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 APEX1 300/4885ACHE 4756/4885GAA 2667/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 APEX1 300/4885ACHE 4756/4885GAA 2667/4885
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests NR0B1, NR4A1, NR4A3 APEX1 1668/4885ACHE 605/4885GAA 4801/4885
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents DPYD, PDXK, TYMP APEX1 1914/4885ACHE 3532/4885GAA 841/4885
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents DPYD, TYMP, TOP2A APEX1 1509/4885ACHE 4336/4885GAA 763/4885
US-20080312085-A1 Pesticidal Compositions ANXA1, PRDX1, PRDX2 APEX1 104/4885ACHE 119/4885GAA 3202/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 APEX1 300/4885ACHE 4756/4885GAA 2667/4885

“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.