SCHEMBL21050824

SCHEMBL21050824

Cc1cc2c3c(cnc2c(C)c1-c1c(O)cccc1F)N(C)C(=O)[C@H]1CNCCN31

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.54
HTR2C P28335 9/20 0.39
HTR2B P41595 8/20 0.39
HTR2A P28223 6/20 0.39
NTRK1 P04629 1/20 0.33
MAP4K1 Q92918 1/20 0.33
PIM1 P11309 2/20 0.30

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
SCHEMBL21050934 0.88 KRAS (0.61) KRASHTR2CHTR2BHTR2ANTRK1
SCHEMBL21050781 0.88 KRAS (0.59) KRASHTR2CHTR2BHTR2ANTRK1
SCHEMBL21050919 0.86 KRAS (0.72) KRASHTR2CHTR2BHTR2ANTRK1
SCHEMBL21050647 0.86 KRAS (0.72) KRASHTR2CHTR2BHTR2ANTRK1
SCHEMBL21050835 0.86 KRAS (0.49) KRASHTR2CHTR2BHTR2ANTRK1
SCHEMBL21050666 0.85 KRAS (0.65) KRAS
SCHEMBL21050641 0.83 KRAS (0.77) KRAS
SCHEMBL21050705 0.82 KRAS (0.62) KRASHTR2CHTR2BHTR2A
SCHEMBL21099386 0.82 KRAS (0.60) KRAS
SCHEMBL21050771 0.80 KRAS (0.64) KRASHTR2CHTR2BHTR2A

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
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

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 272/4885HTR2C 1908/4885HTR2B 2556/4885
US-10597405-B2 Chemical compounds MKI67, CCNI, MCL1 KRAS 272/4885HTR2C 1908/4885HTR2B 2556/4885

“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.