SCHEMBL14005489

SCHEMBL14005489

CC(C)c1cncc(Nc2ccc(C#N)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
ABCG2 Q9UNQ0 5/20 0.40
ABCB1 P08183 4/20 0.40
ABCC1 P33527 1/20 0.40
SCN9A Q15858 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LRRK2 Q5S007 1/20 0.39
XDH P47989 1/20 0.39
DHODH Q02127 1/20 0.38
EGFR P00533 2/20 0.38
SYK P43405 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
IDH1 O75874 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
SCHEMBL14005487 0.84 SYK (0.43) ABCG2EGFRSYKERBB2KDR
SCHEMBL15221634 0.80 ALDH1A1 (0.51) ABCG2ABCB1ABCC1NPC1ALDH1A1
SCHEMBL14031014 0.80 SCN10A (0.45) ABCG2ABCB1ABCC1SCN9AALDH1A1
SCHEMBL19087054 0.78 CYP11B1 (0.59) NPC1ALDH1A1RAB9ALRRK2XDH
SCHEMBL12026637 0.75 CYP19A1 (0.40) CYP19A1XDHCYP11B1CYP11B2
SCHEMBL4187553 0.74 LRRK2 (0.43) CYP19A1ABCG2ABCB1SCN9ALRRK2
SCHEMBL8329412 0.73 CYP19A1 (0.52) CYP19A1ABCG2ABCB1SCN9ALRRK2
SCHEMBL395539 0.72 CA2 (0.52) ABCG2ABCB1ALDH1A1POLBRAB9A
SCHEMBL4185063 0.71 ALPL (0.52) ABCG2SCN9ALRRK2XDHCYP11B1
SCHEMBL19077878 0.70 GRM5 (0.63) NPC1RAB9ASMN1; SMN2

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 CYP19A1 1791/4885ABCG2 2641/4885ABCB1 1638/4885

“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.