SCHEMBL22862497

SCHEMBL22862497

COC(=O)c1ccc([C@H](C)Nc2nc(C)nc3cc(F)ccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 13/20 0.55
▸ KRAS P01116 12/20 0.55
▸ CTNNB1 P35222 4/20 0.51
▸ TCF7L2 Q9NQB0 4/20 0.51
▸ EGFR P00533 1/20 0.49
▸ MAP2K4 P45985 1/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GRK6 P43250 1/20 0.41

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
SCHEMBL29490331 1.00 SOS1 (0.55) SOS1KRASCTNNB1TCF7L2EGFR
SCHEMBL29490290 0.89 CTNNB1 (0.52) SOS1KRASCTNNB1TCF7L2EGFR
SCHEMBL22862498 0.89 CTNNB1 (0.52) SOS1KRASCTNNB1TCF7L2EGFR
SCHEMBL22862605 0.83 CTNNB1 (0.45) SOS1KRASCTNNB1TCF7L2EGFR
SCHEMBL29490271 0.83 CTNNB1 (0.45) SOS1KRASCTNNB1TCF7L2EGFR
SCHEMBL22862533 0.82 KRAS (0.58) SOS1KRASCTNNB1TCF7L2EGFR
SCHEMBL29490266 0.82 KRAS (0.58) SOS1KRASCTNNB1TCF7L2EGFR
SCHEMBL38653314 0.79 KRAS (0.42) SOS1KRASCTNNB1TCF7L2EGFR
SCHEMBL22862718 0.79 KRAS (0.42) SOS1KRASCTNNB1TCF7L2EGFR
SCHEMBL20509925 0.78 SOS1 (0.50) SOS1KRASEGFR

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-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — US disclosed
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 — — 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 (1 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-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 SOS1 1949/4885KRAS 77/4885CTNNB1 2646/4885

“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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