SCHEMBL30115311

SCHEMBL30115311

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCCN1CCCCC1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.86
ERBB2 P04626 14/20 0.86
ERBB4 Q15303 9/20 0.86
JAK3 P52333 2/20 0.86
GAK O14976 1/20 0.86
RIPK2 O43353 1/20 0.86
NR1I2 O75469 1/20 0.86
LCK P06239 1/20 0.86
ADORA3 P0DMS8 1/20 0.86
CHRM1 P11229 1/20 0.86
SRC P12931 1/20 0.86
DRD2 P14416 1/20 0.86
ADRA2C P18825 1/20 0.86
SLC6A2 P23975 1/20 0.86
MC3R P41968 1/20 0.86
SLC6A3 Q01959 1/20 0.86
PDE4D Q08499 1/20 0.86
KCNH2 Q12809 1/20 0.86
RIPK3 Q9Y572 1/20 0.86

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
SCHEMBL30115344 1.00 EGFR (0.86) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30115307 0.96 EGFR (0.84) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30115319 0.94 EGFR (0.86) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30115358 0.94 EGFR (0.78) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30115322 0.93 EGFR (0.78) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30115346 0.93 EGFR (0.77) EGFRERBB2ERBB4JAK3GAK
SCHEMBL33136 0.93 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
SCHEMBL25098 0.93 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
Dacomitinib Anhydrous SCHEMBL33147 0.93 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK
SCHEMBL30115337 0.93 EGFR (1.00) EGFRERBB2ERBB4JAK3GAK

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-20230001008-A1 COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES KUMQUAT BIOSCIENCES INC. 2023-01-05 US 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 (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-20230001008-A1 COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES CD2BP2, CD47, CD74 EGFR 1892/4885ERBB2 2230/4885ERBB4 2991/4885

“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.