SCHEMBL30979876

SCHEMBL30979876

COC1CCCCN1Oc1ccc2ncncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.52
FGFR4 P22455 1/20 0.36
ALOX5 P09917 1/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL30979882 0.77 EGFR (0.58) EGFRFGFR4ALOX5RAB9AMEN1
SCHEMBL30979879 0.76 EGFR (0.56) EGFRFGFR4ALOX5RAB9AMEN1
SCHEMBL3372138 0.70 EGFR (1.00) EGFRFGFR4RAB9AMEN1KMT2A
SCHEMBL28126951 0.69 EGFR (0.55) EGFRFGFR4ALOX5RAB9AMEN1
Hydrochloric Acid SCHEMBL28032872 0.69 EGFR (0.96) EGFRFGFR4RAB9AMEN1KMT2A
SCHEMBL11548081 0.69 CHRNB4 (0.36) KMT2A
SCHEMBL28243443 0.68 EGFR (0.70) EGFRFGFR4RAB9AMEN1KMT2A
SCHEMBL28126949 0.68 LTA4H (0.53) EGFRRAB9ANPC1HRH3
SCHEMBL30979873 0.64 EGFR (0.44) EGFRPIK3CDPIK3CA
SCHEMBL30513751 0.64 EGFR (0.78) EGFRFGFR4PIK3CDPIK3CAPDGFRB

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 2/4885FGFR4 21/4885ALOX5 2764/4885

“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.