SCHEMBL24345870

SCHEMBL24345870

COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)c2c[nH][nH]2)C(F)(F)F)cc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
DYRK1A Q13627 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NAMPT P43490 3/20 0.32
CFTR P13569 3/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
GABRA5 P31644 2/20 0.31
ROCK2 O75116 2/20 0.30
ROCK1 Q13464 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
RAD52 P43351 1/20 0.30
UBE2N P61088 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL24345459 0.92 POLB (0.39) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL29620732 0.91 POLB (0.35) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL24345698 0.91 POLB (0.35) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL24345288 0.91 POLB (0.35) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL29620707 0.91 POLB (0.35) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL24345472 0.91 POLB (0.35) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL24346314 0.91 POLB (0.35) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL24345669 0.90 POLB (0.38) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL24345270 0.90 POLB (0.38) POLBDYRK1AMEN1HPGDKMT2A
SCHEMBL18033219 0.90 POLB (0.38) POLBDYRK1AMEN1HPGDKMT2A

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 3294/4885DYRK1A 4859/4885MEN1 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.