SCHEMBL21100010

SCHEMBL21100010

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KRAS P01116 10/20 0.46
GPR119 Q8TDV5 3/20 0.34
NTRK1 P04629 1/20 0.33
PARP1 P09874 1/20 0.31
SCN9A Q15858 1/20 0.31
TNF P01375 2/20 0.30
LITAF Q99732 2/20 0.30
MAP4K4 O95819 1/20 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
SCHEMBL21099322 0.92 KRAS (0.42) KRASGPR119NTRK1PARP1SCN9A
SCHEMBL21100015 0.91 KRAS (0.43) KRASGPR119NTRK1PARP1MAP4K4
SCHEMBL21050772 0.88 KRAS (0.49) KRAS
SCHEMBL21100031 0.87 KRAS (0.54) KRASGPR119SCN9ATNFLITAF
SCHEMBL21100011 0.85 KRAS (0.64) KRAS
SCHEMBL21099288 0.84 KRAS (0.51) KRASGPR119NTRK1PARP1MAP4K4
SCHEMBL21099403 0.84 KRAS (0.53) KRASNTRK1TNFLITAF
SCHEMBL21099226 0.81 KRAS (0.66) KRAS
SCHEMBL21050982 0.79 KRAS (0.45) KRAS
SCHEMBL30231218 0.79 KRAS (0.46) KRASGPR119NTRK1SCN9A

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 945/4885NTRK1 4066/4885

“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.