SCHEMBL3349030

SCHEMBL3349030

CN(C)Cc1ccn2c(-c3csc(C4(c5ccc(C(=O)NO)cc5)CCCC4)n3)cnc2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.35
HDAC1 Q13547 5/20 0.34
WNT1 P04628 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
FYN P06241 4/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CSF1R P07333 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 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 0.97 MAP4K1 (0.36) MAP4K1HDAC1WNT1CLK2CLK3
SCHEMBL198039 0.93 KCNH2 (0.35) MAP4K1HDAC1WNT1CLK2CLK3
SCHEMBL3356499 0.89 HDAC1 (0.44) HDAC1HDAC7HDAC8HDAC6CSF1R
SCHEMBL3357568 0.87 HDAC6 (0.41) HDAC1DYRK1AHDAC7HDAC8HDAC6
SCHEMBL3352696 0.86 HDAC1 (0.36) HDAC1HDAC7HDAC8HDAC6HDAC4
SCHEMBL3357111 0.85 HDAC1 (0.46) HDAC1HDAC7HDAC8HDAC6CSF1R
SCHEMBL3353200 0.85 HDAC6 (0.42) HDAC1DYRK1AHDAC7HDAC8HDAC6
SCHEMBL3352879 0.85 HDAC1 (0.38) HDAC1DYRK1AHDAC7HDAC8HDAC6
SCHEMBL197769 0.82 HDAC1 (0.43) HDAC1HDAC7HDAC8HDAC6HDAC4
SCHEMBL3358237 0.82 PKM (0.47) HDAC1HDAC6HDAC3HDAC2

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-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 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 MAP4K1 1715/4885HDAC1 1/4885WNT1 3219/4885

“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.