SCHEMBL657168

SCHEMBL657168

COCCOc1ccn2c(-c3ccnc(C4(c5ccc(C(=O)Nc6ccccc6N)cc5)CC4)n3)c(C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.52
IGF1R P08069 1/20 0.40
PIK3CA P42336 3/20 0.39

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
SCHEMBL3357394 0.93 HDAC1 (0.53) HDAC1IGF1R
SCHEMBL656720 0.93 HDAC1 (0.51) HDAC1IGF1R
SCHEMBL659880 0.90 HDAC1 (0.54) HDAC1
SCHEMBL655483 0.90 HDAC1 (0.54) HDAC1PIK3CA
SCHEMBL657269 0.89 HDAC1 (0.51) HDAC1
SCHEMBL657800 0.89 HDAC1 (0.53) HDAC1
SCHEMBL658275 0.88 AKT1 (0.36) HDAC1IGF1R
SCHEMBL657139 0.87 HDAC1 (0.54) HDAC1
SCHEMBL3353147 0.87 HDAC1 (0.45) HDAC1PIK3CA
SCHEMBL658533 0.86 HDAC1 (0.67) HDAC1IGF1R

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 HDAC1 1/4885IGF1R 1912/4885PIK3CA 1968/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885IGF1R 1912/4885PIK3CA 1968/4885

“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.