SCHEMBL658769

SCHEMBL658769

Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1ccnc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.46
MKNK2 Q9HBH9 11/20 0.46
F2RL1 P55085 1/20 0.40
HDAC1 Q13547 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KLK7 P49862 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
MAP3K14 Q99558 2/20 0.35
RIPK2 O43353 1/20 0.34
KDM1A O60341 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34

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
SCHEMBL657165 0.89 MKNK1 (0.43) MKNK1MKNK2HDAC1HPGDCDK1
SCHEMBL656639 0.87 HDAC1 (0.52) F2RL1HDAC1CDK2
SCHEMBL655847 0.86 HDAC1 (0.49) MKNK1MKNK2HDAC1GAACDK2
SCHEMBL3358836 0.85 MAP3K14 (0.50) HDAC1KDM4EALDH1A1GLAGAA
SCHEMBL3352082 0.85 MKNK1 (0.43) MKNK1MKNK2F2RL1HDAC1KDM4E
SCHEMBL657703 0.83 HDAC1 (0.39) HDAC1KDM4EALDH1A1CDK2AKT1
SCHEMBL658247 0.83 HDAC1 (0.39) HDAC1CDK2AKT1AKT2MAP3K14
SCHEMBL700985 0.83 CDK2 (0.55) MKNK1MKNK2HDAC1CDK1CDK2
SCHEMBL3353468 0.82 MKNK1 (0.42) MKNK1MKNK2F2RL1HDAC1KDM4E
SCHEMBL658761 0.82 AKT1 (0.47) HDAC1KDM4EALDH1A1GLAGAA

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
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 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 (2 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 MKNK1 714/4885MKNK2 539/4885F2RL1 2461/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 MKNK1 714/4885MKNK2 539/4885F2RL1 2461/4885

“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.