SCHEMBL22862554

SCHEMBL22862554

COC(=O)c1ccc([C@H](C)Nc2nc(C)nc3oc(C)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.46
▸ KDR P35968 10/20 0.46
▸ PDGFRB P09619 6/20 0.46
▸ KRAS P01116 4/20 0.42
▸ SOS1 Q07889 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CAMK2D Q13557 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDGFRA P16234 1/20 0.37

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
SCHEMBL29490306 1.00 EGFR (0.46) EGFRKDRPDGFRBKRASSOS1
SCHEMBL29490260 0.89 RAB9A (0.38) EGFRKDRPDGFRBKDM4EALDH1A1
SCHEMBL22862570 0.89 RAB9A (0.38) EGFRKDRPDGFRBKDM4EALDH1A1
SCHEMBL22862684 0.89 EGFR (0.49) EGFRKDRPDGFRBKRASSOS1
SCHEMBL29490218 0.89 EGFR (0.49) EGFRKDRPDGFRBKRASSOS1
SCHEMBL22862683 0.83 EGFR (0.36) EGFRKDRPDGFRBSOS1
SCHEMBL29490316 0.83 EGFR (0.36) EGFRKDRPDGFRBSOS1
SCHEMBL22862964 0.81 EGFR (0.50) EGFRKDRPDGFRBKRASSOS1
SCHEMBL22862686 0.81 EGFR (0.50) EGFRKDRPDGFRBKRASSOS1
SCHEMBL29490226 0.81 EGFR (0.50) EGFRKDRPDGFRBKRASSOS1

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 EGFR 3230/4885KDR 3642/4885PDGFRB 2937/4885

“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.

Send feedback