SCHEMBL26089057

SCHEMBL26089057

CCc1cnccc1C(=O)Nc1ccc2c(c1)CC(C)(C)C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.37
▸ MAP4K1 Q92918 2/20 0.37
▸ CIT O14578 1/20 0.37
▸ MAP3K7 O43318 1/20 0.37
▸ RIPK2 O43353 1/20 0.37
▸ STK10 O94804 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ YES1 P07947 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ RET P07949 1/20 0.37
▸ HCK P08631 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ FGR P09769 1/20 0.37
▸ KIT P10721 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
SCHEMBL23674977 0.90 CRBN (0.35) KDRMAP4K1CITMAP3K7RIPK2
SCHEMBL26086646 0.89 OTUD7B (0.38) KDRMAP4K1CRBNBRD4LMNA
SCHEMBL31329494 0.83 MAP4K1 (0.51) MAP4K1CRBN
SCHEMBL21646064 0.83 MAP4K1 (0.51) MAP4K1CRBN
SCHEMBL31329495 0.83 MAP4K1 (0.51) MAP4K1CRBN
SCHEMBL26445035 0.83 FLT1 (0.36) KDRFLT1LMNAL3MBTL1
SCHEMBL30100723 0.82 HDAC3 (0.53) KDRMAP4K1CITMAP3K7RIPK2
SCHEMBL26441299 0.82 BRD4 (0.57) CRBNBRD4ALK
SCHEMBL30100769 0.82 BRD4 (0.57) CRBNBRD4ALK
SCHEMBL26089027 0.82 HDAC3 (0.53) KDRMAP4K1CITMAP3K7RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 — — US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 — — US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 — — 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 (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-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 KDR 51/4885MAP4K1 1207/4885CIT 1587/4885

“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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