SCHEMBL21099404

SCHEMBL21099404

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1c([N+](=O)[O-])cnc2c(F)c(-c3c(F)cccc3OC)c(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KRAS P01116 6/20 0.41
TNF P01375 3/20 0.40
LITAF Q99732 3/20 0.40
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
ALK Q9UM73 3/20 0.36
MET P08581 2/20 0.35
EGFR P00533 1/20 0.35
HMOX2 P30519 1/20 0.35
CRYZ Q08257 1/20 0.35
VAT1 Q99536 1/20 0.35
RTN4 Q9NQC3 1/20 0.35
PRKCQ Q04759 1/20 0.35
BTK Q06187 1/20 0.34
PIK3CD O00329 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL21099295 0.90 KRAS (0.37) KRASTNFLITAFCCNT1CDK9
SCHEMBL21099285 0.90 KRAS (0.41) KRASTNFLITAFCCNT1CDK9
SCHEMBL21136716 0.90 KRAS (0.41) KRASTNFLITAFCCNT1CDK9
SCHEMBL21050845 0.85 KRAS (0.45) KRASEGFRHMOX2CRYZVAT1
SCHEMBL21099594 0.85 KCNH2 (0.37) TNFLITAFCCNT1CDK9MET
SCHEMBL28648177 0.85 KCNH2 (0.37) TNFLITAFCCNT1CDK9MET
SCHEMBL29153252 0.82 PRKCQ (0.36) TNFLITAFCCNT1CDK9MET
SCHEMBL21099583 0.81 KRAS (0.63) KRASTNFLITAFALK
SCHEMBL21137320 0.81 KRAS (0.43) KRASTNFLITAFALKEGFR
SCHEMBL21137338 0.81 KCNH2 (0.38) CCNT1CDK9METPRKCQPIK3CD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 272/4885TNF 2176/4885LITAF 995/4885

“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.