SCHEMBL3432032

SCHEMBL3432032

CCN(c1ccc2c(C)n[nH]c2c1)c1ccnc(Nc2ccc(CC(N)=O)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
KDR P35968 10/20 0.38
EPHB4 P54760 1/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
FLT1 P17948 2/20 0.37
FLT4 P35916 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
PARP1 P09874 5/20 0.37
LCK P06239 2/20 0.37
JAK3 P52333 2/20 0.37
PDE4B Q07343 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
SCHEMBL3432028 0.85 AURKA (0.36) AURKAKDRHDAC1HDAC6FLT1
SCHEMBL589192 0.81 SRC (0.47) AURKAKDRHDAC1HDAC6CYP3A4
Hydrochloric Acid SCHEMBL6995137 0.79 NEK2 (0.35) KDRHDAC1HDAC6FLT1FLT4
SCHEMBL30453745 0.78 HDAC1 (0.53) KDRHDAC1HDAC6FLT1FLT4
SCHEMBL589341 0.78 HDAC1 (0.53) KDRHDAC1HDAC6FLT1FLT4
SCHEMBL588759 0.76 KDR (0.46) AURKAKDR
SCHEMBL588575 0.75 KDR (0.47) AURKAKDRHDAC1HDAC6FLT1
SCHEMBL31672523 0.75 KDR (0.49) AURKAKDRHDAC1HDAC6FLT1
SCHEMBL10151181 0.75 KDR (0.49) AURKAKDRHDAC1HDAC6FLT1
SCHEMBL10151205 0.74 KDR (0.51) AURKAKDRHDAC1HDAC6FLT1

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 450/4885KDR 1/4885EPHB4 569/4885

“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.