SCHEMBL3352082

SCHEMBL3352082

Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.43
MKNK2 Q9HBH9 6/20 0.43
F2RL1 P55085 1/20 0.41
HDAC6 Q9UBN7 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KLK7 P49862 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
CTSL P07711 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
SCHEMBL3353468 0.97 MKNK1 (0.42) MKNK1MKNK2F2RL1HDAC6HDAC8
SCHEMBL197529 0.95 MKNK1 (0.40) MKNK1MKNK2F2RL1HDAC6HDAC8
SCHEMBL3351854 0.89 HDAC4 (0.41) MKNK1MKNK2HDAC6HDAC8HDAC4
SCHEMBL3356523 0.88 HDAC1 (0.44) F2RL1HDAC6HDAC8HDAC4HDAC1
SCHEMBL3354030 0.86 HDAC4 (0.40) MKNK1MKNK2HDAC6HDAC8HDAC4
SCHEMBL3358736 0.85 HDAC1 (0.43) F2RL1HDAC6HDAC8HDAC4HDAC1
SCHEMBL3352449 0.85 HDAC1 (0.41) HDAC6HDAC8HDAC4HDAC1HDAC7
SCHEMBL3351547 0.85 ALDH1A1 (0.41) HDAC6HDAC8HDAC4HDAC1HDAC7
SCHEMBL658769 0.85 MKNK1 (0.46) MKNK1MKNK2F2RL1HDAC1ALDH1A1
SCHEMBL197320 0.84 HDAC4 (0.39) MKNK1MKNK2HDAC6HDAC8HDAC4

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 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.