SCHEMBL20786309

SCHEMBL20786309

Cc1cc(-c2nn(C3CCCCO3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc23)ccn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 10/20 0.36
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ ATR Q13535 6/20 0.34
▸ RET P07949 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.32

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
SCHEMBL20786110 0.87 ATR (0.37) CYP4F2CYP4A11ATRRETDGAT2
SCHEMBL23791913 0.87 ATR (0.43) ATR
SCHEMBL20765180 0.83 GAA (0.36) CYP4F2CYP4A11ATRRETDGAT2
SCHEMBL31089969 0.83 GAA (0.36) CYP4F2CYP4A11ATRRETDGAT2
SCHEMBL20786492 0.82 CYP4F2 (0.36) MAPK1CYP4F2CYP4A11ATRRET
SCHEMBL20764887 0.82 CYP4F2 (0.39) MAPK1CYP4F2CYP4A11ATRRET
SCHEMBL20786559 0.82 CYP4F2 (0.39) CYP4F2CYP4A11ATRRETDGAT2
SCHEMBL29989125 0.81 CYP4F2 (0.41) MAPK1CYP4F2CYP4A11ATRRET
SCHEMBL29168077 0.80 IDO1 (0.35) CYP4F2CYP4A11RETDGAT2
SCHEMBL23792790 0.79 CYP4F2 (0.34) CYP4F2CYP4A11ATRDGAT2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242334-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2022-02-08 — — US disclosed
US-11242334-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof JS INNOPHARM (SHANGHAI) LTD. (CN) 2022-02-08 — — US disclosed
US-20200239438-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-07-30 — — US disclosed
US-20200239438-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2020-07-30 — — US disclosed
CN-111032656-A Heterocyclic compound kinase inhibitor and pharmaceutical composition and application thereof 捷思英达医药技术(上海)有限公司 2020-04-17 — — CN disclosed
WO-2019037640-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-02-28 — — 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 (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-20200239438-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF MAP3K20, MAP3K19, MAP3K1 MAPK1 40/4885CYP4F2 1915/4885CYP4A11 1071/4885
US-11242334-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof MAP3K20, MAP3K19, MAP3K1 MAPK1 40/4885CYP4F2 1915/4885CYP4A11 1071/4885

“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.

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