SCHEMBL3432028

SCHEMBL3432028

CCN(c1ccc2c(C)n[nH]c2c1)c1ccnc(Nc2ccccc2CC(N)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.36
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
RET P07949 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
KDR P35968 8/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34

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
SCHEMBL3432032 0.85 AURKA (0.41) AURKAKDRCYP3A4CYP2D6CYP2C9
SCHEMBL589192 0.78 SRC (0.47) AURKAKDRCYP3A4CYP2D6CYP2C9
SCHEMBL31672520 0.75 KDR (0.40) KDRFLT4FLT1PARP1
SCHEMBL2874945 0.75 KDR (0.40) KDRFLT4FLT1PARP1
SCHEMBL30453745 0.70 HDAC1 (0.53) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL589341 0.70 HDAC1 (0.53) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30452921 0.69 KDR (0.54) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL588547 0.69 KDR (0.54) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL589331 0.67 KDR (0.39) KDRFLT4FLT1PARP1
SCHEMBL30453126 0.67 KDR (0.57) AURKACDK1CCNB1KDRCYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105712-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-04-29 US 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-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 AURKA 450/4885CCNB2 157/4885CDK1 65/4885

“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.