SCHEMBL21099322

SCHEMBL21099322

C[C@@H]1CN2c3c(cnc4c(F)c(Br)c(F)cc34)OC[C@H]2CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 8/20 0.42
GPR119 Q8TDV5 4/20 0.35
SCN9A Q15858 2/20 0.33
USP30 Q70CQ3 1/20 0.33
HDAC1 Q13547 3/20 0.32
PARP1 P09874 1/20 0.31
NTRK1 P04629 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
SCHEMBL21100010 0.92 KRAS (0.46) KRASGPR119SCN9APARP1NTRK1
SCHEMBL21050982 0.88 KRAS (0.45) KRAS
SCHEMBL21099328 0.85 KRAS (0.55) KRASGPR119SCN9A
SCHEMBL21100015 0.84 KRAS (0.43) KRASGPR119HDAC1PARP1NTRK1
SCHEMBL21100011 0.81 KRAS (0.64) KRAS
SCHEMBL21099403 0.80 KRAS (0.53) KRASNTRK1
SCHEMBL21100031 0.80 KRAS (0.54) KRASGPR119SCN9AUSP30
SCHEMBL21050772 0.79 KRAS (0.49) KRAS
SCHEMBL21099288 0.79 KRAS (0.51) KRASGPR119HDAC1PARP1NTRK1
SCHEMBL21099286 0.78 GPR119 (0.37) GPR119NTRK1

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
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 (1 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 272/4885GPR119 945/4885SCN9A 3615/4885

“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.