SCHEMBL700324

SCHEMBL700324

Nc1ccccc1NC(=O)c1ccc(Nc2nccc(-c3cnc4cc(CN5CCOCC5)ccn34)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.60
HDAC1 Q13547 15/20 0.60
JAK3 P52333 1/20 0.48
HDAC3 O15379 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
ABL1 P00519 2/20 0.46
PDGFRB P09619 2/20 0.46
KDR P35968 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
NCOR1 O75376 1/20 0.45
CYP3A4 P08684 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
AURKA O14965 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
SCHEMBL700350 0.94 HDAC1 (0.61) JAK2HDAC1HDAC3HDAC2HDAC11
SCHEMBL699043 0.87 JAK2 (0.55) JAK2HDAC1JAK3HDAC3HDAC2
SCHEMBL12789790 0.87 HDAC1 (0.48) JAK2HDAC1HDAC3HDAC2HDAC11
SCHEMBL3353340 0.85 HDAC1 (0.52) JAK2HDAC1HDAC3HDAC2HDAC11
SCHEMBL701663 0.85 HDAC1 (0.63) JAK2HDAC1HDAC3HDAC2HDAC11
SCHEMBL12790694 0.84 TNIK (0.47) JAK2HDAC1HDAC3HDAC2HDAC11
SCHEMBL699310 0.82 HDAC1 (0.78) JAK2HDAC1HDAC3HDAC2HDAC11
SCHEMBL699649 0.82 HDAC1 (0.79) JAK2HDAC1HDAC3HDAC2HDAC11
SCHEMBL699938 0.80 JAK2 (0.47) JAK2HDAC1JAK3HDAC3HDAC2
SCHEMBL12789786 0.80 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC11HDAC8

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-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 JAK2 745/4885HDAC1 1/4885JAK3 1359/4885

“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.