SCHEMBL21050828

SCHEMBL21050828

Cc1ccc2[nH]ncc2c1-c1cc2ncc3c(c2cc1Cl)N1CCNC[C@@H]1CN3CCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 18/20 0.49
HAVCR2 Q8TDQ0 1/20 0.34
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL21050925 0.86 KRAS (0.58) KRAS
SCHEMBL21050847 0.84 KRAS (0.69) KRAS
SCHEMBL21099346 0.83 KRAS (0.55) KRAS
SCHEMBL21050910 0.81 KRAS (0.56) KRAS
SCHEMBL21050857 0.79 KRAS (0.69) KRASHAVCR2
SCHEMBL21050854 0.79 KRAS (0.69) KRASHAVCR2
SCHEMBL21136886 0.79 KRAS (0.69) KRASHAVCR2
SCHEMBL21099337 0.72 KRAS (0.59) KRAS
SCHEMBL21136792 0.71 KRAS (0.55) KRAS
SCHEMBL24558116 0.70 KRAS (0.51) KRASHAVCR2

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 272/4885HAVCR2 2978/4885ROCK2 1973/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885HAVCR2 2978/4885ROCK2 1973/4885

“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.