SCHEMBL22862609

SCHEMBL22862609

Cc1nc(N[C@@H](C)c2cccc(Br)c2)c2cc(C)oc2n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 7/20 0.59
▸ KRAS P01116 5/20 0.59
▸ EGFR P00533 10/20 0.50
▸ KDR P35968 8/20 0.50
▸ PDGFRB P09619 4/20 0.47
▸ PFKFB3 Q16875 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29490269 1.00 SOS1 (0.59) SOS1KRASEGFRKDRPDGFRB
SCHEMBL22862610 0.88 SOS1 (0.53) SOS1EGFRKDRPDGFRB
SCHEMBL29490226 0.86 EGFR (0.50) SOS1KRASEGFRKDRPDGFRB
SCHEMBL22862964 0.86 EGFR (0.50) SOS1KRASEGFRKDRPDGFRB
SCHEMBL22862611 0.86 EGFR (0.50) SOS1KRASEGFRKDRPDGFRB
SCHEMBL29490232 0.86 EGFR (0.50) SOS1KRASEGFRKDRPDGFRB
SCHEMBL22862730 0.80 SOS1 (0.51) SOS1EGFRKDRPDGFRB
SCHEMBL22862880 0.80 SOS1 (0.51) SOS1EGFRKDRPDGFRB
SCHEMBL22862686 0.79 EGFR (0.50) SOS1KRASEGFRKDRPDGFRB
SCHEMBL29490225 0.79 EGFR (0.50) SOS1KRASEGFRKDRPDGFRB

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 77/4885EGFR 3230/4885

“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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