SCHEMBL17239723

SCHEMBL17239723

O=C(/C=C/CN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC[C@H]1CCCO1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.75
ERBB2 P04626 15/20 0.75
ERBB4 Q15303 7/20 0.75
GAK O14976 1/20 0.71
RIPK2 O43353 1/20 0.71
NR1I2 O75469 1/20 0.71
LCK P06239 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
CHRM1 P11229 1/20 0.71
SRC P12931 1/20 0.71
DRD2 P14416 1/20 0.71
ADRA2C P18825 1/20 0.71
SLC6A2 P23975 1/20 0.71
MC3R P41968 1/20 0.71
JAK3 P52333 1/20 0.71
SLC6A3 Q01959 1/20 0.71
PDE4D Q08499 1/20 0.71
KCNH2 Q12809 1/20 0.71
RIPK3 Q9Y572 1/20 0.71

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
SCHEMBL29623485 1.00 EGFR (0.75) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL209345 1.00 EGFR (0.75) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL19951041 1.00 EGFR (0.75) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL185197 1.00 EGFR (0.75) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL17239724 1.00 EGFR (0.75) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL14427868 0.98 EGFR (0.74) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL14066607 0.98 EGFR (0.74) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL14427869 0.98 EGFR (0.74) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL230985 0.91 EGFR (0.78) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL185348 0.91 EGFR (0.78) EGFRERBB2ERBB4GAKRIPK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206877-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-02-19 US disclosed
US-20150320736-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2015-11-12 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 (2 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-20150320736-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 EGFR 591/4885ERBB2 2637/4885ERBB4 2020/4885
US-10206877-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 EGFR 591/4885ERBB2 2637/4885ERBB4 2020/4885

“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.