SCHEMBL668493

SCHEMBL668493

COc1ccc2cncnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 1.00
HPGDS O60760 7/20 0.57
PDGFRB P09619 2/20 0.55
PDGFRA P16234 2/20 0.55
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
NQO2 P16083 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE10A Q9Y233 1/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP17A1 P05093 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL30241125 1.00 EGFR (1.00) EGFRHPGDSPDGFRBPDGFRANPC1
SCHEMBL29517021 1.00 EGFR (1.00) EGFRHPGDSPDGFRBPDGFRANPC1
Hydrochloric Acid SCHEMBL28023744 0.98 EGFR (0.96) EGFRHPGDSPDGFRBPDGFRANPC1
SCHEMBL31728944 0.88 EGFR (0.78) EGFRHPGDSPDGFRBPDGFRAPDE10A
SCHEMBL27976752 0.86 EGFR (0.76) EGFRPDGFRBPDGFRANPC1RAB9A
SCHEMBL3372138 0.85 EGFR (1.00) EGFRHPGDSPDGFRBPDGFRANPC1
SCHEMBL13837704 0.85 EGFR (0.73) EGFRHPGDSPDGFRBPDGFRA
SCHEMBL30979881 0.84 EGFR (0.73) EGFRHPGDSPDGFRBPDGFRANPC1
Hydrochloric Acid SCHEMBL28032872 0.84 EGFR (0.96) EGFRHPGDSPDGFRBPDGFRANPC1
SCHEMBL4649110 0.82 EGFR (0.70) EGFRPDGFRBPDGFRAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852129-A Preparation method and application of triazole feed additive with anti-inflammatory activity designed based on deep learning technology 河南湾流生物科技有限公司 2024-10-29 CN claimed
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF Petragen, Inc. 2023-10-12 US claimed
WO-2013050527-A1 QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-11 WO claimed
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US claimed
EP-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP claimed
EP-2346859-A1 HETEROCYCLIC JAK KINASE INHIBITORS AstraZeneca AB (SE) 2011-07-27 EP claimed
WO-2010038060-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-04-08 WO claimed
WO-2010026029-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed
EP-2086641-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-08-12 EP claimed
WO-2008049842-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 WO claimed
EP-1784224-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2007-05-16 EP claimed
JP-2007505878-A 2007-03-15 JP claimed
EP-1706119-A1 NOVEL PHARMACEUTICAL COMBINATIONS CONTAINING SCOPINE OR TROPIC ACID ESTERS AND EGFR-KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2006-10-04 EP claimed
WO-2006082129-A1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CHRONIC RHINOSINUSITIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-10 WO claimed
EP-1670782-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-06-21 EP claimed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 WO claimed
WO-2005065687-A1 NOVEL PHARMACEUTICAL COMBINATIONS CONTAINING SCOPINE OR TROPIC ACID ESTERS AND EGFR-KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-21 WO claimed
WO-2005028470-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-31 WO claimed
CN-1178938-C 1,2-annelated quinoline derivatives ղɭҩҵ���޹�˾ 2004-12-08 CN claimed
CN-1331693-A 1,2-annelated quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2002-01-16 CN claimed

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-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS JAK2, JAK1, JAK3 EGFR 469/4885HPGDS 179/4885PDGFRB 260/4885
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF ENPP1, ENPP2, ENPP3 EGFR 3329/4885HPGDS 775/4885PDGFRB 1156/4885

“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.