SCHEMBL699649

SCHEMBL699649

Nc1ccccc1NC(=O)c1ccc(Nc2nccc(-c3cnc4cnccn34)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.79
JAK2 O60674 1/20 0.58
HDAC3 O15379 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
ABL1 P00519 2/20 0.54
PDGFRB P09619 2/20 0.54
KDR P35968 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
NCOR1 O75376 1/20 0.54
CYP3A4 P08684 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
IGF1R P08069 2/20 0.52
CDK2 P24941 2/20 0.52

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
SCHEMBL699310 0.93 HDAC1 (0.78) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL700733 0.90 HDAC1 (0.68) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL27910557 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL699668 0.86 HDAC1 (0.78) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL699919 0.86 HDAC1 (0.81) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL699852 0.85 HDAC1 (0.68) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL701663 0.85 HDAC1 (0.63) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL700725 0.83 CAMK2D (0.56) HDAC1JAK2HDAC3HDAC2HDAC8
SCHEMBL700350 0.83 HDAC1 (0.61) HDAC1JAK2HDAC3HDAC2HDAC11
SCHEMBL699239 0.83 HDAC1 (0.69) HDAC1JAK2HDAC3HDAC2HDAC11

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 HDAC1 1/4885JAK2 745/4885HDAC3 17/4885

“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.