SCHEMBL700463

SCHEMBL700463

Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.60
DNMT1 P26358 3/20 0.47
DNMT3L Q9UJW3 2/20 0.47
DNMT3A Q9Y6K1 2/20 0.47
MYC P01106 1/20 0.47
MAP2K3 P46734 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47
EHMT1 Q9H9B1 1/20 0.47
DNMT3B Q9UBC3 1/20 0.47
JAK2 O60674 1/20 0.46
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
CDK4 P11802 1/20 0.45
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43

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
SCHEMBL699264 0.90 HDAC1 (0.57) HDAC1CCNE1CDK2CDK4HDAC3
SCHEMBL700609 0.86 CDK2 (0.47) HDAC1CCNE1CDK2CDK4HDAC3
SCHEMBL7978508 0.84 CDK2 (0.51) CCNE1CDK2CDK4
SCHEMBL701831 0.84 HDAC1 (0.47) HDAC1DNMT1DNMT3LDNMT3AMYC
SCHEMBL699145 0.83 HDAC1 (0.79) HDAC1JAK2CCNE1CDK2CDK4
SCHEMBL7975428 0.83 CDK2 (0.47) CCNE1CDK2CDK4
SCHEMBL3683767 0.80 PRKD3 (0.66) HDAC1CDK2HDAC3HDAC2HDAC8
SCHEMBL12790556 0.79 HDAC1 (0.56) HDAC1CDK2HDAC3HDAC4HDAC7
SCHEMBL699908 0.79 HDAC1 (0.58) HDAC1CDK2CDK4HDAC3HDAC4
SCHEMBL12790544 0.79 HDAC1 (0.55) HDAC1CDK2HDAC3HDAC2

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 7 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
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 HDAC1 1/4885DNMT1 1269/4885DNMT3L 1462/4885

“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.