SCHEMBL3449554

SCHEMBL3449554

O=C(O)C=Cc1cccc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2NCCCc2nc3ccccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 4/20 0.43
STK17B O94768 3/20 0.43
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PIM2 Q9P1W9 4/20 0.37
SOS1 Q07889 2/20 0.37
GSK3B P49841 1/20 0.37
PIM1 P11309 1/20 0.37
RHOA P61586 1/20 0.36
ALK Q9UM73 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3449743 1.00 STK17A (0.43) STK17ASTK17BHDAC1HDAC8HDAC6
SCHEMBL3448134 0.96 STK17A (0.40) STK17ASTK17BHDAC1HDAC8HDAC6
SCHEMBL3448130 0.96 STK17A (0.40) STK17ASTK17BHDAC1HDAC8HDAC6
SCHEMBL13348324 0.92 GSK3B (0.38) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL13311016 0.91 STK17A (0.42) STK17ASTK17BHDAC1HDAC8HDAC6
SCHEMBL13310986 0.87 STK17A (0.39) STK17ASTK17BHDAC1HDAC8HDAC6
SCHEMBL13348470 0.87 STK17A (0.39) STK17ASTK17BHDAC1HDAC8HDAC6
SCHEMBL3449476 0.84 STK17A (0.46) STK17ASTK17BSOS1GSK3BALK
SCHEMBL13348473 0.83 MEN1 (0.37) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3450976 0.83 PIM2 (0.52) STK17ASTK17BPIM2PIM1HPGD

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD STK17A 1984/4885STK17B 2457/4885HDAC1 1109/4885

“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.