SCHEMBL23700697

SCHEMBL23700697

COc1cc(C(=O)NCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(N)C(F)(F)F)cc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CFTR P13569 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 1/20 0.33
GABRA5 P31644 2/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
NAMPT P43490 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
BACE1 P56817 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL23700695 1.00 POLB (0.38) POLBCFTRMEN1KMT2AHPGD
SCHEMBL23700694 1.00 POLB (0.38) POLBCFTRMEN1KMT2AHPGD
SCHEMBL23674625 0.93 POLB (0.37) POLBCFTRMEN1KMT2AHPGD
SCHEMBL23674760 0.93 POLB (0.37) POLBCFTRMEN1KMT2AHPGD
SCHEMBL23674624 0.93 POLB (0.37) POLBCFTRMEN1KMT2AHPGD
SCHEMBL23674762 0.93 POLB (0.37) POLBCFTRMEN1KMT2AHPGD
SCHEMBL23674626 0.93 POLB (0.37) POLBCFTRMEN1KMT2AHPGD
SCHEMBL23674687 0.92 AR (0.34) POLBCFTRGABRA5NAMPT
SCHEMBL23674686 0.92 AR (0.34) POLBCFTRGABRA5NAMPT
SCHEMBL23674688 0.92 AR (0.34) POLBCFTRGABRA5NAMPT

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
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 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 (2 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN POLB 3294/4885CFTR 307/4885MEN1 1492/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN POLB 3294/4885CFTR 307/4885MEN1 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.