SCHEMBL14005488

SCHEMBL14005488

CC(C)(C)c1cncc(Nc2ccccc2C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.43
LRRK2 Q5S007 3/20 0.42
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
AURKA O14965 1/20 0.39
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28361136 0.81 KCNK18 (0.49) LRRK2AURKAPDK1PDK2PDK3
SCHEMBL14005531 0.78 TAS2R14 (0.49) TAS2R14AURKAPDK1PDK2PDK3
SCHEMBL14005491 0.78 MAPT (0.50) TAS2R14KDM4EGAAHPGDMEN1
SCHEMBL14031046 0.78 HPGD (0.43) LRRK2FLT1FLT4KDRAURKA
SCHEMBL14005490 0.76 DHFR (0.48) TAS2R14KDM4EGAAMAPTKMT2A
SCHEMBL14005527 0.76 TAS2R14 (0.47) TAS2R14LMNASMN1; SMN2KCNK18TSHR
SCHEMBL14005526 0.76 SLC22A12 (0.45) TAS2R14HPGDMEN1MAPTHTT
SCHEMBL8329356 0.76 FLT1 (0.47) LRRK2FLT1FLT4KDRAURKA
SCHEMBL14005512 0.75 TAS2R14 (0.46) TAS2R14HPGDKCNK18
SCHEMBL14005539 0.75 TAS2R14 (0.43) TAS2R14GAAMAPTSMN1; SMN2KCNK18

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 TAS2R14 4288/4885LRRK2 1032/4885FLT1 4177/4885

“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.