SCHEMBL198039

SCHEMBL198039

CN(C)Cc1ccn2c(-c3csc(C4(c5ccc(C(=O)NO)cc5)CCOCC4)n3)cnc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
MAP4K1 Q92918 2/20 0.35
F2RL3 Q96RI0 2/20 0.34
F2 P00734 1/20 0.34
HDAC1 Q13547 9/20 0.33
HDAC2 Q92769 6/20 0.33
HDAC3 O15379 5/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC6 Q9UBN7 6/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
WNT1 P04628 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL3356666 0.95 MAP4K1 (0.36) MAP4K1HDAC1HDAC6WNT1CLK2
SCHEMBL3349030 0.93 MAP4K1 (0.35) MAP4K1HDAC1HDAC2HDAC3HDAC6
SCHEMBL197769 0.89 HDAC1 (0.43) KCNH2HDAC1HDAC2HDAC3HDAC10
SCHEMBL199233 0.88 HDAC1 (0.39) KCNH2HDAC1HDAC2HDAC3HDAC10
SCHEMBL198526 0.87 HDAC6 (0.39) KCNH2HDAC1HDAC2HDAC3HDAC10
SCHEMBL197571 0.86 KCNH2 (0.40) KCNH2F2RL3F2HDAC1HDAC6
SCHEMBL3353710 0.85 HDAC1 (0.39) KCNH2HDAC1HDAC2HDAC3HDAC10
SCHEMBL3352879 0.84 HDAC1 (0.38) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL3357111 0.83 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC10HDAC11
SCHEMBL198016 0.83 PKM (0.45) KCNH2HDAC1HDAC2HDAC3HDAC6

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-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 KCNH2 4061/4885MAP4K1 1715/4885F2RL3 2800/4885

“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.