SCHEMBL21050834

SCHEMBL21050834

Cc1c(Br)c(Cl)cc2c3c(cnc12)OC[C@H]1CN(C(=O)O)CCN31

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 0.58
SOS1 Q07889 4/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL21050851 0.89 KRAS (0.59) KRASSOS1CYP3A4CYP2C8CYP2D6
SCHEMBL21050804 0.88 KRAS (0.59) KRASSOS1CYP3A4CYP2C9
SCHEMBL21099215 0.88 KRAS (0.54) KRASSOS1
SCHEMBL21050892 0.85 KRAS (0.46) KRAS
SCHEMBL21050785 0.82 KRAS (0.55) KRASSOS1
SCHEMBL21050984 0.82 KRAS (0.55) KRASSOS1
SCHEMBL21050778 0.80 KRAS (0.69) KRAS
SCHEMBL21100031 0.78 KRAS (0.54) KRASSOS1
SCHEMBL21099217 0.78 KRAS (0.56) KRAS
SCHEMBL21050793 0.77 KRAS (0.54) KRAS

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 272/4885SOS1 1477/4885CYP3A4 322/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885SOS1 1477/4885CYP3A4 322/4885

“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.