SCHEMBL700183

SCHEMBL700183

Cc1nc2ccc(C(=O)NCCN(C)C)cn2c1-c1ccnc(Nc2ccc(C(=O)NO)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
IKBKG Q9Y6K9 1/20 0.53
CDC7 O00311 1/20 0.51
CDK19 Q9BWU1 1/20 0.51
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
CDK2 P24941 7/20 0.48
CCNT1 O60563 2/20 0.48
CCNA2 P20248 2/20 0.48
CDK9 P50750 2/20 0.48
CCNA1 P78396 1/20 0.48
SYK P43405 4/20 0.47
FLT3 P36888 2/20 0.47
CDK4 P11802 3/20 0.46
CCNE1 P24864 2/20 0.46
CDK1 P06493 2/20 0.46
BRAF P15056 1/20 0.46
HDAC1 Q13547 3/20 0.45
CAMK2D Q13557 1/20 0.44

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
SCHEMBL700856 0.89 BRAF (0.49) AURKAAURKBCDK2CDK4CCNE1
SCHEMBL701005 0.87 HDAC1 (0.61) IKBKBCHUKIKBKGCDC7CDK19
SCHEMBL700078 0.84 AURKA (0.53) IKBKBCHUKIKBKGAURKAAURKB
SCHEMBL699658 0.83 HDAC1 (0.58) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL703707 0.83 CDK2 (0.47) IKBKBCHUKIKBKGCDC7CDK19
SCHEMBL699357 0.82 CDK2 (0.60) CDK2CDK4CCNE1CDK1HDAC1
SCHEMBL700146 0.81 CDK2 (0.49) CDK2SYKCDK4CCNE1CDK1
SCHEMBL700145 0.81 CDK2 (0.49) AURKBCDK2CCNT1CDK9CDK4
SCHEMBL700984 0.80 CDK2 (0.47) CDK2FLT3CDK4CCNE1CDK1
SCHEMBL701179 0.79 CDK2 (0.53) CDK2CDK4CCNE1CDK1HDAC1

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 IKBKB 252/4885CHUK 76/4885IKBKG 1309/4885

“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.