SCHEMBL24345845

SCHEMBL24345845

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
HPGD P15428 2/20 0.34
CFTR P13569 3/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
NAMPT P43490 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL23700697 0.92 POLB (0.38) POLBKMT2AMEN1HPGDCFTR
SCHEMBL24345669 0.92 POLB (0.38) POLBKMT2AMEN1HPGDCFTR
SCHEMBL18033219 0.92 POLB (0.38) POLBKMT2AMEN1HPGDCFTR
SCHEMBL24984688 0.92 POLB (0.38) POLBKMT2AMEN1HPGDCFTR
SCHEMBL24345270 0.92 POLB (0.38) POLBKMT2AMEN1HPGDCFTR
SCHEMBL23700695 0.92 POLB (0.38) POLBKMT2AMEN1HPGDCFTR
SCHEMBL24986320 0.92 POLB (0.38) POLBKMT2AMEN1HPGDCFTR
SCHEMBL23700694 0.92 POLB (0.38) POLBKMT2AMEN1HPGDCFTR
SCHEMBL24984689 0.91 POLB (0.37) POLBKMT2AMEN1HPGDCFTR
SCHEMBL24345846 0.89 POLB (0.37) POLBKMT2AMEN1HPGDCFTR

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 3294/4885KMT2A 2438/4885MEN1 1492/4885

“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.