SCHEMBL20786559

SCHEMBL20786559

Cn1nccc1-c1nn(C2CCCCO2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.39
▸ CYP4A11 Q02928 2/20 0.39
▸ ATR Q13535 16/20 0.35
▸ RET P07949 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.33

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
SCHEMBL20786321 0.83 RXRA (0.32) CYP4F2CYP4A11ATRDGAT2
SCHEMBL31089969 0.82 GAA (0.36) CYP4F2CYP4A11ATRRETDGAT2
SCHEMBL20765180 0.82 GAA (0.36) CYP4F2CYP4A11ATRRETDGAT2
SCHEMBL20786488 0.82 ATR (0.39) CYP4F2CYP4A11ATRDGAT2
SCHEMBL20786309 0.82 MAPK1 (0.36) CYP4F2CYP4A11ATRRETDGAT2
SCHEMBL29168077 0.81 IDO1 (0.35) CYP4F2CYP4A11RETDGAT2
SCHEMBL20786558 0.81 CYP4F2 (0.43) CYP4F2CYP4A11ATRRET
SCHEMBL23792790 0.81 CYP4F2 (0.34) CYP4F2CYP4A11ATRDGAT2
SCHEMBL6508680 0.80 RET (0.32) CYP4F2CYP4A11ATRRETDGAT2
SCHEMBL30124206 0.80 RET (0.32) CYP4F2CYP4A11ATRRETDGAT2

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 3 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-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
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 CYP4F2 1915/4885CYP4A11 1071/4885ATR 682/4885
US-11242334-B2 Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof MAP3K20, MAP3K19, MAP3K1 CYP4F2 1915/4885CYP4A11 1071/4885ATR 682/4885

“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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