SCHEMBL14005487

SCHEMBL14005487

CC(C)c1cncc(Nc2cccc(C#N)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.43
ABCG2 Q9UNQ0 6/20 0.43
TP53 P04637 1/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
EGFR P00533 4/20 0.41
ERBB2 P04626 2/20 0.41
SLC2A1 P11166 2/20 0.41
CDC7 O00311 1/20 0.40
VNN1 O95497 1/20 0.39

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
SCHEMBL14005489 0.84 CYP19A1 (0.41) SYKABCG2KDREGFRERBB2
SCHEMBL14030129 0.81 SLC2A1 (0.49) SYKABCG2TP53FLT1FLT4
SCHEMBL1981048 0.77 ABCG2 (0.51) SYKABCG2TP53FLT1FLT4
SCHEMBL19077878 0.77 GRM5 (0.63) VNN1
SCHEMBL953597 0.76 ALDH1A1 (0.56) SYKABCG2FLT1FLT4KDR
SCHEMBL10567345 0.72 ABCG2 (0.57) SYKABCG2FLT1FLT4KDR
SCHEMBL6156438 0.71 ALDH1A1 (0.61) ABCG2TP53FLT1FLT4KDR
SCHEMBL12026637 0.71 CYP19A1 (0.40)
SCHEMBL21439863 0.71 NPSR1 (0.60) ABCG2EGFRSLC2A1
SCHEMBL30619678 0.71 NPSR1 (0.60) ABCG2EGFRSLC2A1

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 SYK 478/4885ABCG2 2641/4885TP53 2456/4885

“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.