SCHEMBL21050815

SCHEMBL21050815

COc1cccc(F)c1-c1c(Cl)cc2c3c(cnc2c1F)NC(=O)[C@H]1CN(C(=O)O)CCN31

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KRAS P01116 10/20 0.53
EGFR P00533 1/20 0.37
HMOX2 P30519 1/20 0.37
CRYZ Q08257 1/20 0.37
VAT1 Q99536 1/20 0.37
RTN4 Q9NQC3 1/20 0.37
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
NTRK1 P04629 5/20 0.34
MAP4K1 Q92918 4/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
PRKAA1 Q13131 1/20 0.33
CFD P00746 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.33
MAP4K2 Q12851 1/20 0.33
STK4 Q13043 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
SCHEMBL21100047 0.91 KRAS (0.50) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050683 0.88 KRAS (0.45) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21099615 0.82 KRAS (0.43) KRASEGFRGRIN1GRIN2BNTRK1
SCHEMBL21050710 0.81 KRAS (0.76) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050825 0.81 KRAS (0.49) KRASGRIN2B
SCHEMBL21050761 0.80 KRAS (0.68) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050845 0.80 KRAS (0.45) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050827 0.79 KRAS (0.64) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050961 0.78 KRAS (0.43) KRASEGFRHMOX2CRYZVAT1
SCHEMBL18128614 0.77 KRAS (0.51) KRASEGFRHMOX2CRYZVAT1

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-10597405-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-24 US disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 KRAS 272/4885EGFR 568/4885HMOX2 1418/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885EGFR 568/4885HMOX2 1418/4885

“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.