SCHEMBL26359209

SCHEMBL26359209

BN1CCN(c2ccc(Nc3nc(Oc4cccc(NC(=O)C=C)c4)c4sccc4n3)cc2)CC1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.88
BTK Q06187 6/20 0.88
KCNH2 Q12809 2/20 0.88
ABCB11 O95342 1/20 0.88
ESR1 P03372 1/20 0.88
CHRM2 P08172 1/20 0.88
HTR1A P08908 1/20 0.88
ADRA2A P08913 1/20 0.88
ADORA3 P0DMS8 1/20 0.88
CHRM1 P11229 1/20 0.88
DRD1 P21728 1/20 0.88
TBXA2R P21731 1/20 0.88
SLC6A2 P23975 1/20 0.88
PDE4A P27815 1/20 0.88
ADRA1A P35348 1/20 0.88
OPRM1 P35372 1/20 0.88
DRD3 P35462 1/20 0.88
KDR P35968 1/20 0.88
SLC6A3 Q01959 1/20 0.88
HRH3 Q9Y5N1 1/20 0.88

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
Olmutinib SCHEMBL29358219 0.94 EGFR (1.00) EGFRBTKKCNH2ABCB11ESR1
Olmutinib SCHEMBL14914931 0.94 EGFR (1.00) EGFRBTKKCNH2ABCB11ESR1
Olmutinib SCHEMBL29377940 0.94 EGFR (1.00) EGFRBTKKCNH2ABCB11ESR1
Olmutinib SCHEMBL19643039 0.93 EGFR (0.98) EGFRBTKKCNH2ABCB11ESR1
Olmutinib SCHEMBL29786076 0.93 EGFR (0.98) EGFRBTKKCNH2ABCB11ESR1
SCHEMBL14914610 0.93 EGFR (0.89) EGFRBTKKCNH2ABCB11ESR1
SCHEMBL14914912 0.92 EGFR (0.88) EGFRBTKKCNH2ABCB11ESR1
SCHEMBL14914959 0.92 EGFR (0.87) EGFRBTKKCNH2ABCB11ESR1
SCHEMBL14915258 0.92 EGFR (0.87) EGFRBTKKCNH2ABCB11ESR1
SCHEMBL14916200 0.91 EGFR (0.88) EGFRBTKKCNH2ABCB11ESR1

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-20230302144-A1 Porphyrin Compounds and Compositions Useful for Treating Cancer ONCOSELECT THERAPEUTICS, LLC (US) 2023-09-28 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-20230302144-A1 Porphyrin Compounds and Compositions Useful for Treating Cancer KIT, HCCS, PPIF EGFR 1166/4885BTK 3765/4885KCNH2 4284/4885

“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.