SCHEMBL24609346

SCHEMBL24609346

COc1ncc(SC)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
EGFR P00533 2/20 0.38
GAA P10253 1/20 0.38
ERBB2 P04626 1/20 0.38
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PIK3CA P42336 1/20 0.35
MAOB P27338 1/20 0.35
AR P10275 2/20 0.34
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL15046199 0.77 GAA (0.44) CYP11B1CYP11B2EGFRGAAERBB2
SCHEMBL15053307 0.75 GAA (0.40) CYP11B1CYP11B2GAAL3MBTL1PIK3CA
SCHEMBL31294273 0.75 GAA (0.40) CYP11B1CYP11B2EGFRGAAERBB2
SCHEMBL31046671 0.75 KDM4E (0.49) EGFRGAAERBB2PIK3CAKDM4E
SCHEMBL25117929 0.75 LMNA (0.42) EGFRGAAERBB2L3MBTL1PIK3CA
SCHEMBL18839637 0.75 KDM4E (0.49) EGFRGAAERBB2PIK3CAKDM4E
SCHEMBL323094 0.75 GAA (0.40) CYP11B1CYP11B2EGFRGAAERBB2
SCHEMBL21412856 0.75 GAA (0.40) CYP11B1CYP11B2EGFRGAAERBB2
SCHEMBL20670341 0.75 GAA (0.40) CYP11B1CYP11B2GAAL3MBTL1PIK3CA
SCHEMBL30434202 0.75 GAA (0.40) CYP11B1CYP11B2EGFRGAAERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
US-20220213054-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS MEKANISTIC THERAPEUTICS LLC (US) 2022-07-07 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 (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-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors EGFR, ERBB2, ERBB3 MAP2K1 54/4885CYP11B1 1641/4885CYP11B2 2635/4885
US-20220213054-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 MAP2K1 54/4885CYP11B1 1641/4885CYP11B2 2635/4885

“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.