SCHEMBL30979900

SCHEMBL30979900

CCOc1cc2ncncc2cc1C1CCCCN1N

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 4/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
ENPP1 P22413 1/20 0.30
CAMKK1 Q8N5S9 1/20 0.30
CAMKK2 Q96RR4 1/20 0.30
NTSR1 P30989 1/20 0.30
PRMT3 O60678 1/20 0.30

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
SCHEMBL30979873 0.72 EGFR (0.44) EGFR
SCHEMBL34463538 0.72 ENPP1 (0.47) EGFRENPP1
SCHEMBL27795278 0.72 ENPP1 (0.47) EGFRENPP1
SCHEMBL18655511 0.68 EGFR (0.42) EGFRENPP1
SCHEMBL29834813 0.67 EGFR (0.41) EGFRENPP1
SCHEMBL30001688 0.67 ENPP1 (0.57) KDM4EALDH1A1EGFRPDGFRBPDGFRA
SCHEMBL30979890 0.62 EGFR (0.43) KDM4EALDH1A1EGFRPDGFRBPDGFRA
SCHEMBL27987996 0.62 PDGFRB (0.61) EGFRPDGFRBPDGFRA
SCHEMBL18660016 0.62 TSHR (0.40) ALDH1A1EGFRPDGFRBPDGFRAENPP1
SCHEMBL30979886 0.61 EGFR (0.42) KDM4EALDH1A1EGFRPDGFRBPDGFRA

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 KDM4E 3031/4885ALDH1A1 3064/4885EGFR 2/4885

“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.