SCHEMBL1687131

SCHEMBL1687131

CNc1ccc(-c2nc3c(c(N4CCOCC4)n2)SC(NCCCCCCC(=O)NO)C3)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.48
PIK3R1 P27986 7/20 0.48
PIK3CA P42336 7/20 0.48
HDAC3 O15379 6/20 0.48
MTOR P42345 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC10 Q969S8 5/20 0.48
PIK3CD O00329 4/20 0.48
PIK3CB P42338 4/20 0.48
PIK3CG P48736 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
NCOR2 Q9Y618 2/20 0.48
HDAC11 Q96DB2 3/20 0.47
PIK3C2B O00750 1/20 0.46
PRKDC P78527 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL1622625 0.77 HDAC1 (0.59) HDAC1PIK3R1PIK3CAHDAC3MTOR
SCHEMBL1284451 0.76 HDAC1 (0.60) HDAC1PIK3R1PIK3CAHDAC3MTOR
SCHEMBL1687435 0.73 HDAC1 (0.51) HDAC1PIK3R1PIK3CAHDAC3MTOR
SCHEMBL1687432 0.70 HDAC1 (0.57) HDAC1PIK3R1PIK3CAHDAC3MTOR
SCHEMBL1283045 0.66 HDAC1 (0.50) HDAC1PIK3R1PIK3CAHDAC3MTOR
SCHEMBL1621763 0.66 HDAC1 (0.61) HDAC1PIK3R1PIK3CAHDAC3MTOR
SCHEMBL1285118 0.66 HDAC1 (0.61) HDAC1PIK3R1PIK3CAHDAC3MTOR
SCHEMBL31659015 0.66 HDAC1 (0.55) HDAC1PIK3R1PIK3CAHDAC3MTOR
SCHEMBL1284350 0.66 HDAC1 (0.55) HDAC1PIK3R1PIK3CAHDAC3MTOR
SCHEMBL17078427 0.65 HDAC1 (1.00) HDAC1PIK3R1PIK3CAHDAC3MTOR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2012-04-12 US disclosed

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-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB HDAC1 10/4885PIK3R1 106/4885PIK3CA 57/4885

“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.