SCHEMBL30006214

SCHEMBL30006214

COc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALPL P05186 1/20 0.35
▸ UCHL1 P09936 1/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL14038064 1.00 EGFR (0.38) EGFRLMNACYP2C9TSHRAPEX1
SCHEMBL3670014 0.83 ALPL (0.36) EGFRALPLUCHL1AAK1
SCHEMBL30132973 0.83 ALPL (0.36) EGFRALPLUCHL1AAK1
SCHEMBL2453019 0.81 LPL (0.36) EGFRALPLUCHL1LIPEAAK1
SCHEMBL23658807 0.79 UCHL1 (0.40) EGFRALPLUCHL1AAK1
SCHEMBL15923768 0.79 EGFR (0.33) EGFRUCHL1LIPE
SCHEMBL15817447 0.79 EGFR (0.37) EGFRLIPEBACE1
SCHEMBL23658912 0.78 KMT2A (0.40) LMNASMN1; SMN2ALPLLIPEAAK1
SCHEMBL23647744 0.77 PDGFRB (0.36) EGFRALPL
SCHEMBL18224565 0.77 ALPL (0.40) ALPLUCHL1PTGS1PTGS2

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-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
US-20220372041-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-11-24 — — US disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 — — EP 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 (2 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-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 EGFR 4212/4885LMNA 3854/4885CYP2C9 408/4885
US-20220372041-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 EGFR 4212/4885LMNA 3854/4885CYP2C9 408/4885

“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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