SCHEMBL7978154

SCHEMBL7978154

Cc1nc2ccccn2c1-c1ccnc(Nc2cnc(C(=O)NOC3CCCCO3)cn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.50
CDK4 P11802 6/20 0.50
CCNE1 P24864 5/20 0.50
HDAC1 Q13547 5/20 0.42
CDK1 P06493 1/20 0.41
TGFBR1 P36897 1/20 0.41
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
PRKD3 O94806 1/20 0.37
LCK P06239 1/20 0.37
CSF1R P07333 1/20 0.37
ROS1 P08922 1/20 0.37
KIT P10721 1/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37
MARK3 P27448 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL7980583 0.90 CDK2 (0.50) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL7978784 0.86 CDK2 (0.49) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL10252196 0.86 CDK2 (0.51) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL7965090 0.85 CDK2 (0.49) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL7964023 0.84 CDK2 (0.50) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL10252153 0.83 CDK2 (0.50) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL10252165 0.83 CDK2 (0.49) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL7978153 0.82 HDAC1 (0.51) CDK2CDK4CCNE1HDAC1INSR
SCHEMBL10252325 0.82 CDK2 (0.49) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL699928 0.81 CDK2 (0.61) CDK2CDK4CCNE1HDAC1CDK1

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 5 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
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 CDK2 16/4885CDK4 15/4885CCNE1 75/4885

“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.