SCHEMBL30979890

SCHEMBL30979890

COc1cc2ncncc2cc1ON1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
PDGFRB P09619 13/20 0.42
PDGFRA P16234 13/20 0.42
FGFR4 P22455 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 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
SCHEMBL30979886 0.99 EGFR (0.42) EGFRPDGFRBPDGFRAFGFR4KDM4E
SCHEMBL30979887 0.97 EGFR (0.43) EGFRPDGFRBPDGFRAFGFR4KDM4E
SCHEMBL241727 0.83 EGFR (0.58) EGFRPDGFRBPDGFRAFGFR4KDM4E
Hydrochloric Acid SCHEMBL8814048 0.82 EGFR (0.56) EGFRPDGFRBPDGFRAFGFR4KDM4E
Formaldehyde SCHEMBL28061098 0.79 EGFR (0.53) EGFRPDGFRBPDGFRAFGFR4KDM4E
SCHEMBL30776773 0.78 EHMT2 (0.63) EHMT2EHMT1
SCHEMBL27987996 0.75 PDGFRB (0.61) EGFRPDGFRBPDGFRA
SCHEMBL30001688 0.75 ENPP1 (0.57) EGFRPDGFRBPDGFRAFGFR4KDM4E
SCHEMBL6000263 0.72 EGFR (0.46) EGFRFGFR4KDM4EALDH1A1SMN1; SMN2
SCHEMBL30000483 0.72 ENPP1 (0.59) EGFRPDGFRBPDGFRAFGFR4KDM4E

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-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-07-25 US claimed

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-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF ERBB2, EGFR, ERBB3 EGFR 2/4885PDGFRB 17/4885PDGFRA 16/4885

“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.