SCHEMBL30979873

SCHEMBL30979873

NN1CCCCC1c1ccc2ncncc2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.44
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
MGLL Q99685 2/20 0.34
BACE1 P56817 1/20 0.33
PSMB5 P28074 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ACHE P22303 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
SCHEMBL30979900 0.72 KDM4E (0.32) EGFR
SCHEMBL5039456 0.69 MGLL (0.39) MGLL
SCHEMBL27389897 0.68 IP6K1 (0.53) EGFRPIK3CAPIK3CDCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL20958774 0.68 ALDH1A1 (0.45) CHRNB2CHRNA7CHRNA4ACHE
Hydrochloric Acid SCHEMBL20703272 0.68 ALDH1A1 (0.45) CHRNB2CHRNA7CHRNA4ACHE
SCHEMBL12182488 0.67 CHRNA7 (0.68) CHRNB2CHRNA7CHRNA4
SCHEMBL8870802 0.67 MAP4K4 (0.54) EGFRPIK3CAPIK3CDPSMB5
SCHEMBL2509355 0.66 TRPA1 (0.47)
SCHEMBL30241134 0.65 EGFR (0.50) EGFRBACE1PSMB5
SCHEMBL30979882 0.65 EGFR (0.58) EGFRPIK3CAPIK3CD

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 2/4885PIK3CA 112/4885PIK3CD 133/4885

“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.