SCHEMBL3356956

SCHEMBL3356956

Cc1sc(C2(c3ccc(C(=O)NO)cc3)CCCC2)nc1-c1cnc2ccccn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 1/20 0.41
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CD O00329 1/20 0.39
MTOR P42345 1/20 0.39
PIP4K2A P48426 1/20 0.39
PIK3CG P48736 1/20 0.39
VPS35 Q96QK1 1/20 0.39
PIK3R4 Q99570 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 5/20 0.37
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 3/20 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
SCHEMBL3354200 0.96 PIK3CA (0.40) MARK3PIK3CAPIK3CBPIK3CDMTOR
SCHEMBL197923 0.92 HDAC1 (0.39) MARK3PIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3357440 0.88 HDAC1 (0.49) MARK3PIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3353327 0.88 MARK3 (0.39) MARK3PIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3350719 0.85 AKT1 (0.39) MAPTALDH1A1HPGDKDM4EAKT1
SCHEMBL3357410 0.84 HDAC1 (0.51) MARK3PIK3CAPIK3CBPIK3CDMTOR
SCHEMBL3358237 0.83 PKM (0.47) MARK3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3348291 0.81 AKT1 (0.38) MAPTALDH1A1HPGDHDAC1KDM4E
SCHEMBL197554 0.81 HDAC1 (0.48) PIK3CAPIK3CBPIK3CDMTORPIP4K2A
SCHEMBL3350253 0.79 PKM (0.49) NPC1RAB9ASMN1; SMN2TP53MAPT

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 3 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
CN-102123987-A Cycloalkylidene and heterocycloalkylidene histone deacetylase inhibitor compounds GILEAD COLORADO INC 2011-07-13 CN 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 MARK3 1741/4885PIK3CA 1968/4885PIK3CB 1380/4885

“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.