SCHEMBL21050845

SCHEMBL21050845

COc1cccc(F)c1-c1c(Cl)cc2c(N3CCN(C(=O)O)C[C@@H]3C(=O)O)c([N+](=O)[O-])cnc2c1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KRAS P01116 9/20 0.45
EGFR P00533 1/20 0.38
HMOX2 P30519 1/20 0.38
CRYZ Q08257 1/20 0.38
VAT1 Q99536 1/20 0.38
RTN4 Q9NQC3 1/20 0.38
PDGFRB P09619 1/20 0.35
NTRK1 P04629 4/20 0.34
MAP4K1 Q92918 4/20 0.34
PRKAA1 Q13131 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PIN1 Q13526 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 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
SCHEMBL21050961 0.90 KRAS (0.43) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050970 0.90 KRAS (0.43) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050659 0.89 KRAS (0.40) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21099404 0.85 KRAS (0.41) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21136716 0.82 KRAS (0.41) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21099285 0.82 KRAS (0.41) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050761 0.81 KRAS (0.68) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050943 0.80 MAPT (0.36) KRASALDH1A1LMNAMAPT
SCHEMBL21050815 0.80 KRAS (0.53) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21050746 0.78 PIN1 (0.43) KRASALDH1A1LMNAMAPTPIN1

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.