SCHEMBL17837243

SCHEMBL17837243

CC1(C)NC(=O)c2cc(Br)sc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.32
ROCK1 Q13464 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
HTT P42858 1/20 0.32
BACE1 P56817 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
SCHEMBL19350391 0.74 CDC7 (0.35) CDC7DBF4BACE1
SCHEMBL24525785 0.66 CDC7 (0.39) CDC7DBF4
SCHEMBL17837194 0.65 CES1 (0.35) CDC7ROCK1DBF4HTT
SCHEMBL17873725 0.65 CDC7 (0.46) CDC7ROCK1DBF4BACE1
SCHEMBL31411707 0.64 PDK2 (0.37) BACE1
SCHEMBL30029469 0.63 TGM2 (0.46)
SCHEMBL17141573 0.63 TGM2 (0.46)
SCHEMBL1476086 0.63 TDP2 (0.46)
SCHEMBL17837261 0.63 MAPK3 (0.32)
SCHEMBL25348186 0.62 MEN1 (0.34)

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-12133841-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof JS INNOMED HOLDINGS LTD. (KY) 2024-11-05 US disclosed
US-20240352029-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED 2024-10-24 US disclosed
WO-2024216249-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2024-10-17 WO disclosed
CN-115504986-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-14 CN disclosed
WO-2024051717-A1 COMPOUND AS PLK1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海深势唯思科技有限责任公司 2024-03-14 WO disclosed
CN-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 CN disclosed
CN-112638917-B Heterocyclic compounds as kinase inhibitors, compositions comprising the same, and methods of use thereof 捷思英达控股有限公司 2023-09-08 CN disclosed
CN-115504986-A Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-12-23 CN disclosed
CN-111094250-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 CN disclosed
CN-112457326-B Aromatic heterocyclic lactam compound, preparation method and application 上海凌达生物医药有限公司 2022-02-15 CN disclosed
US-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
WO-2016106029-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed
WO-2016106029-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed
WO-2016106009-A1 ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 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 (3 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-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 CDC7 266/4885ROCK1 520/4885DBF4 3705/4885
US-20240352029-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK1, CDK3 CDC7 63/4885ROCK1 781/4885DBF4 2971/4885
US-12133841-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof MAP3K11, MAP3K13, MAP3K1 CDC7 356/4885ROCK1 276/4885DBF4 3820/4885

“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.