SCHEMBL22862811

SCHEMBL22862811

Cc1nc(N[C@@H](C)c2ccc(-c3nc(C4CC4)no3)cc2)c2cc(C)oc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.39
▸ KDR P35968 7/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ SOS1 Q07889 5/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ USP7 Q93009 2/20 0.38
▸ PDGFRB P09619 4/20 0.37
▸ HTT P42858 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL22862431 1.00 EGFR (0.39) EGFRKDRCA1CA2CA9
SCHEMBL29490298 1.00 EGFR (0.39) EGFRKDRCA1CA2CA9
SCHEMBL22862998 0.93 EGFR (0.38) EGFRKDRSOS1SMN1; SMN2PDGFRB
SCHEMBL29490251 0.91 CA1 (0.40) EGFRCA1CA2CA9SOS1
SCHEMBL22862603 0.91 CA1 (0.40) EGFRCA1CA2CA9SOS1
SCHEMBL22862723 0.91 CA1 (0.40) EGFRCA1CA2CA9NPC1
SCHEMBL29490217 0.91 CA1 (0.40) EGFRCA1CA2CA9NPC1
SCHEMBL22862729 0.91 CA1 (0.38) EGFRCA1CA2CA9SOS1
SCHEMBL22862630 0.91 CA1 (0.40) EGFRCA1CA2CA9NPC1
SCHEMBL22862753 0.88 CCNE2 (0.39) EGFRKDRCA1CA2CA9

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 3642/4885CA1 1738/4885

“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