SCHEMBL68733

SCHEMBL68733

NC1CCN(S(=O)(=O)C2CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
SMYD3 Q9H7B4 3/20 0.40
CHRNA7 P36544 1/20 0.32
TSHR P16473 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
SCHEMBL14115748 0.91 EPHX2 (0.47) EPHX2SMYD3CHRNA7
SCHEMBL23270095 0.86 EPHX2 (0.36) EPHX2SMYD3CHRNA7
Trifluoroacetic Acid SCHEMBL29191931 0.83 EPHX2 (0.40) EPHX2SMYD3TSHR
SCHEMBL932571 0.79 CA1 (0.50) CHRNA7
SCHEMBL24712019 0.79 SMYD3 (0.31) SMYD3
SCHEMBL23187583 0.77 CHRNA7 (0.33) EPHX2SMYD3CHRNA7
SCHEMBL24572139 0.77 CHRNA7 (0.33) CHRNA7
SCHEMBL4355006 0.76 CA1 (0.46) EPHX2TSHR
SCHEMBL18914047 0.76 EPHX2 (0.46) EPHX2TSHR
SCHEMBL8263008 0.75 MEN1 (0.47) EPHX2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250235456-A1 METHODS OF USE FOR AZA-QUINAZOLINE COMPOUNDS IAMBIC THERAPEUTICS, INC. 2025-07-24 US disclosed
EP-4558493-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE Iambic Therapeutics, Inc. (US) 2025-05-28 EP disclosed
EP-4558502-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE Iambic Therapeutics, Inc. (US) 2025-05-28 EP disclosed
CN-120051470-A Azaquinazoline compounds and methods of use 依安彼克医疗有限公司 2025-05-27 CN disclosed
CN-119894880-A Quinazoline compounds and methods of use 依安彼克医疗有限公司 2025-04-25 CN disclosed
CN-117858879-A CDK2/4/6 inhibitor and preparation method and application thereof 南京再明医药有限公司 2024-04-09 CN disclosed
US-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. 2024-03-21 US disclosed
CN-112574176-B Heteroaryl compound and application thereof 隆泰申医药科技(南京) 有限公司 2024-03-15 CN disclosed
US-20240034731-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. 2024-02-01 US disclosed
WO-2024020419-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2421864-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-29 EP disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
WO-2010122272-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-28 WO disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 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 (6 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-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE CCNI, CDK3, CDK1 EPHX2 3169/4885SMYD3 2958/4885CHRNA7 2064/4885
US-20240034731-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE CCNI, CDKN1A, CDK8 EPHX2 2660/4885SMYD3 1315/4885CHRNA7 1682/4885
US-20250235456-A1 METHODS OF USE FOR AZA-QUINAZOLINE COMPOUNDS AZI2, TPMT, HDAC10 EPHX2 2603/4885SMYD3 345/4885CHRNA7 549/4885
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, CYP4F3, HCCS EPHX2 1215/4885SMYD3 2526/4885CHRNA7 341/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 EPHX2 3226/4885SMYD3 3290/4885CHRNA7 2488/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS EPHX2 1624/4885SMYD3 2825/4885CHRNA7 4871/4885

“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.