SCHEMBL21099209

SCHEMBL21099209

CN(C)CCN1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2c2c1cnc1cc(Br)c(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.40
GPR119 Q8TDV5 9/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
KDM1A O60341 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
SCN9A Q15858 1/20 0.32
RET P07949 1/20 0.32
TP53 P04637 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TNF P01375 2/20 0.32
LITAF Q99732 2/20 0.32
SUV39H2 Q9H5I1 1/20 0.32

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
SCHEMBL21050747 0.89 KRAS (0.43) KRAS
SCHEMBL21099612 0.88 KRAS (0.50) KRASGPR119IDO1TDO2SCN9A
SCHEMBL21099329 0.84 KRAS (0.63) KRASSCN9A
SCHEMBL21099346 0.82 KRAS (0.55) KRAS
SCHEMBL21050914 0.79 KRAS (0.52) KRASGPR119IDO1TDO2
SCHEMBL21099365 0.79 KRAS (0.49) KRASGPR119IDO1TDO2RET
SCHEMBL21136846 0.78 KRAS (0.51) KRASGPR119TNFLITAF
SCHEMBL21099582 0.78 KRAS (0.51) KRASGPR119TNFLITAF
SCHEMBL21136786 0.78 CCNE2 (0.32)
SCHEMBL21099999 0.78 KRAS (0.51) KRASGPR119TNFLITAF

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 945/4885IDO1 3705/4885

“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.