SCHEMBL29913352

SCHEMBL29913352

CCc1cc(N)nc(N)c1-c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 5/20 0.62
▸ IKBKE Q14164 1/20 0.48
▸ USP7 Q93009 1/20 0.43
▸ HEXA P06865 1/20 0.43
▸ HEXB P07686 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ PTPN11 Q06124 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40

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
SCHEMBL8259992 0.83 HEXA (0.56) DHFRUSP7HEXAHEXB
SCHEMBL29913449 0.77 DHFR (0.66) DHFRIKBKEUSP7HEXAHEXB
SCHEMBL11881285 0.77 DHFR (1.00) DHFRHEXAHEXB
SCHEMBL29913145 0.77 DHFR (1.00) DHFRHEXAHEXB
SCHEMBL29913304 0.71 DHFR (0.66) DHFRIKBKEUSP7HEXAHEXB
SCHEMBL7433870 0.70 BACE1 (0.59) DHFRBACE1MAP4K4
SCHEMBL4808328 0.69 DHFR (0.52) DHFRIKBKEBACE1DPP4MAP4K4
SCHEMBL10344628 0.69 BACE1 (0.53) DHFRBACE1DPP4MAP4K4
SCHEMBL28463380 0.68 DHFR (0.39) DHFRHEXAHEXBBACE1MAP4K4
SCHEMBL21223518 0.68 DHFR (0.61) DHFRIKBKEBACE1PTPN11DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289686-A1 COMPOSITIONS OF NRF2 INHIBITING AGENTS AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY 2022-09-15 — — 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-20220289686-A1 COMPOSITIONS OF NRF2 INHIBITING AGENTS AND METHODS OF USE THEREOF KEAP1, GSTK1, NFE2L2 DHFR 1701/4885IKBKE 243/4885USP7 1234/4885

“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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