SCHEMBL21050801

SCHEMBL21050801

Cc1ccc2[nH]c(=O)[nH]c2c1-c1cc2ncc3c(c2cc1Cl)N1CCNC[C@@H]1CO3

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KRAS P01116 14/20 0.53
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
HTR2B P41595 4/20 0.34
SSTR2 P30874 2/20 0.34

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
SCHEMBL21099632 0.87 KRAS (0.53) KRASHTR2AHTR2CHTR2B
SCHEMBL21050921 0.85 KRAS (0.66) KRAS
SCHEMBL21050854 0.85 KRAS (0.69) KRAS
SCHEMBL21136886 0.85 KRAS (0.69) KRAS
SCHEMBL21050857 0.85 KRAS (0.69) KRAS
SCHEMBL21050863 0.84 KRAS (0.53) KRASHTR2AHTR2CHTR2B
SCHEMBL21050789 0.83 KRAS (0.49) KRASHTR2AHTR2CHTR2B
SCHEMBL21050726 0.83 KRAS (0.78) KRAS
SCHEMBL21099391 0.82 KRAS (0.61) KRAS
SCHEMBL21099337 0.78 KRAS (0.59) 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 4 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
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO 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 272/4885HTR2A 3423/4885HTR2C 1908/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885HTR2A 3423/4885HTR2C 1908/4885

“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.