SCHEMBL700072

SCHEMBL700072

Cc1nc2cc(OCCN3CCOCC3)ccn2c1-c1ccnc(Nc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.49
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
CDK2 P24941 5/20 0.45
CDK4 P11802 3/20 0.45
CCNE1 P24864 2/20 0.45
IGF1R P08069 1/20 0.44
JAK2 O60674 5/20 0.42
JAK3 P52333 3/20 0.42
CDK1 P06493 1/20 0.42
HDAC1 Q13547 3/20 0.42
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
MAPK8 P45983 2/20 0.41
HDAC3 O15379 1/20 0.41
NCOR1 O75376 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BMPR1B O00238 1/20 0.41

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
SCHEMBL703004 0.93 HDAC1 (0.51) SYKABL1BCRCDK2CDK4
SCHEMBL700958 0.87 HDAC1 (0.60) ABL1BCRIGF1RJAK2HDAC1
SCHEMBL7975343 0.86 CDK2 (0.51) SYKCDK2CDK4CCNE1IGF1R
SCHEMBL7978517 0.84 IGF1R (0.53) ABL1BCRCDK2CDK4CCNE1
SCHEMBL699059 0.83 JAK2 (0.54) SYKABL1BCRCDK2CDK4
SCHEMBL7981330 0.83 CDK2 (0.55) CDK2CDK4CCNE1IGF1RCDK1
SCHEMBL701690 0.79 AURKA (0.52) SYKCDK2IGF1RJAK2JAK3
SCHEMBL12790416 0.79 AURKB (0.44) SYKCDK2MAPK8ROCK2PRKD3
SCHEMBL700837 0.79 CDK2 (0.48) SYKCDK2CDK4CCNE1IGF1R
SCHEMBL7977194 0.78 CDK2 (0.55) ABL1BCRCDK2CDK4CCNE1

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 SYK 3840/4885ABL1 1685/4885BCR 1488/4885

“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.