SCHEMBL17519980

SCHEMBL17519980

CN1Cc2cc(C#N)ccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
GRM5 P41594 1/20 0.48
CASP3 P42574 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
PRF1 P14222 1/20 0.46
LRRK2 Q5S007 1/20 0.43
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
AR P10275 1/20 0.41
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40

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
SCHEMBL17519978 0.87 CASP3 (0.51) CYP11B1CYP11B2GRM5CASP3HTR2A
SCHEMBL30462016 0.84 GRM5 (0.68) CYP11B1CYP11B2GRM5CASP3HTR2A
SCHEMBL26627782 0.84 GRM5 (0.68) CYP11B1CYP11B2GRM5CASP3HTR2A
SCHEMBL20234765 0.80 CYP11B1 (0.52) CYP11B1CYP11B2GRM5CASP3HTR2A
SCHEMBL18086768 0.80 CYP11B1 (0.49) CYP11B1CYP11B2GRM5CASP3HTR2A
SCHEMBL22151637 0.80 CYP11B1 (0.49) CYP11B1CYP11B2GRM5CASP3HTR2A
SCHEMBL22072220 0.80 CYP11B1 (0.49) CYP11B1CYP11B2GRM5CASP3HTR2A
SCHEMBL20234674 0.80 CYP11B1 (0.49) CYP11B1CYP11B2GRM5CASP3HTR2A
SCHEMBL26516516 0.77 CYP11B1 (0.36) CYP11B1CYP11B2GRM5CASP3HTR2A
SCHEMBL435022 0.75 METAP1 (0.44) GRM5HTR2AHTR2CHTR2BPRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2023-08-24 US disclosed
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2023-06-29 US disclosed
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2023-06-29 US disclosed
WO-2023097031-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2023-06-01 WO disclosed
WO-2023096987-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2023-06-01 WO disclosed
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2022-12-08 US disclosed
US-20220281869-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2022-09-08 US disclosed
CN-114702495-A Purinones as ubiquitin-specific protease 1 inhibitors 福马治疗有限公司 2022-07-05 CN disclosed
WO-2018102067-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-07 WO disclosed
WO-2018102725-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. (US) 2018-06-07 WO disclosed
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 US disclosed
US-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2017-05-25 US disclosed
US-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS FORMA THERAPEUTICS, INC. 2017-05-25 US disclosed
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2017-03-09 US disclosed
WO-2017030814-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2017-02-23 WO disclosed
US-20160272639-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2016-09-22 US disclosed
US-20160214972-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2016-07-28 US disclosed
US-20160045607-A1 ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2016-02-18 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 (11 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-20160214972-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ESRRA, MDM2 CYP11B1 145/4885CYP11B2 190/4885GRM5 844/4885
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL CYP11B1 2162/4885CYP11B2 1588/4885GRM5 1580/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA CYP11B1 137/4885CYP11B2 199/4885GRM5 1001/4885
US-20170145012-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS USP1, UBA1, UBXN1 CYP11B1 3447/4885CYP11B2 4538/4885GRM5 3487/4885
US-20160272639-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS VHL, MDM2, XIAP CYP11B1 3038/4885CYP11B2 3267/4885GRM5 3086/4885
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS VHL, MDM2, XIAP CYP11B1 3038/4885CYP11B2 3267/4885GRM5 3086/4885
US-20220281869-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS USP1, UBA1, UBXN1 CYP11B1 3447/4885CYP11B2 4538/4885GRM5 3487/4885
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT CYP11B1 3863/4885CYP11B2 4026/4885GRM5 2711/4885
US-20160045607-A1 ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE GPER1, PSMA3, ESR2 CYP11B1 1954/4885CYP11B2 2178/4885GRM5 1331/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 CYP11B1 3447/4885CYP11B2 4538/4885GRM5 3487/4885
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT CYP11B1 3863/4885CYP11B2 4026/4885GRM5 2711/4885

“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.