SCHEMBL24345846

SCHEMBL24345846

COc1cc(C(=O)NCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2cnnc2)cc2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CFTR P13569 2/20 0.31
NAMPT P43490 3/20 0.31
TP53 P04637 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
DYRK1A Q13627 1/20 0.30
BTK Q06187 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
SCHEMBL29620737 1.00 POLB (0.37) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL29620711 0.93 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL24345268 0.93 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL24345453 0.93 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL24346374 0.92 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL29620704 0.92 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL24346300 0.92 POLB (0.35) POLBMEN1KMT2AHPGDMAPK13
SCHEMBL24345845 0.89 POLB (0.38) POLBMEN1KMT2AHPGDADORA2A
SCHEMBL24984688 0.88 POLB (0.38) POLBMEN1KMT2AHPGDLMNA
SCHEMBL24986320 0.88 POLB (0.38) POLBMEN1KMT2AHPGDLMNA

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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-04-21 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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN POLB 3294/4885MEN1 1492/4885KMT2A 2438/4885

“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.