SCHEMBL699059

SCHEMBL699059

Cc1nc2cc(N3CCOCC3)ccn2c1-c1ccnc(Nc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.54
JAK3 P52333 8/20 0.53
JAK1 P23458 4/20 0.53
TYK2 P29597 3/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC3 O15379 1/20 0.53
NCOR1 O75376 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CDK2 P24941 5/20 0.50
CDK4 P11802 4/20 0.50
AURKA O14965 3/20 0.50
AURKB Q96GD4 3/20 0.50
CDK9 P50750 3/20 0.50
CCNE1 P24864 2/20 0.50
PLK4 O00444 2/20 0.50
CIT O14578 2/20 0.50
GAK O14976 2/20 0.50
ROCK2 O75116 2/20 0.50

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
SCHEMBL699825 0.86 JAK2 (0.69) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL700072 0.83 SYK (0.49) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL7981330 0.81 CDK2 (0.55) CDK2CDK4AURKACDK9CCNE1
SCHEMBL7977194 0.81 CDK2 (0.55) CDK2CDK4AURKACDK9CCNE1
SCHEMBL7975412 0.80 CDK2 (0.54) CDK2CDK4AURKAAURKBCDK9
SCHEMBL7977441 0.80 CDK2 (0.54) CDK2CDK4AURKACDK9CCNE1
SCHEMBL7976842 0.80 CDK2 (0.54) HDAC1CDK2CDK4AURKACDK9
SCHEMBL7978515 0.79 CDK2 (0.60) HDAC1CDK2CDK4AURKAAURKB
SCHEMBL1684693 0.79 CDK2 (0.80) HDAC1CDK2CDK4AURKAAURKB
SCHEMBL2865873 0.79 JAK2 (0.82) JAK2JAK3JAK1TYK2HDAC1

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 4 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 disclosed
EP-2303881-A2 FUSED HETEROCYCLYC INHIBITORS OF HISTONE DEACETYLASE AND/OR CYCLIN-DEPENDENT KINASES GILEAD SCIENCES, INC. (US) 2011-04-06 EP 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 JAK2 745/4885JAK3 1359/4885JAK1 1085/4885

“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.