SCHEMBL6310083

SCHEMBL6310083

O=C(NCCN1CCOCC1)c1cccc2cc(Oc3ccnc4ccsc34)ccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.52
AURKA O14965 11/20 0.52
TEK Q02763 11/20 0.52
MET P08581 9/20 0.52
LCK P06239 8/20 0.51
AURKB Q96GD4 7/20 0.51
LYN P07948 2/20 0.51
FLT1 P17948 1/20 0.51
ABL1 P00519 1/20 0.46
FGR P09769 1/20 0.46
POLR1A O95602 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL6310268 0.88 KDR (0.53) KDRAURKATEKMETAURKB
SCHEMBL5795668 0.83 MET (0.49) KDRAURKATEKMETLCK
SCHEMBL5772756 0.83 AURKA (0.51) KDRAURKATEKMETAURKB
SCHEMBL6307765 0.81 KDR (0.46) KDRAURKATEKMETLCK
SCHEMBL6309400 0.81 KDR (0.49) KDRAURKATEKMETLCK
SCHEMBL6309553 0.81 KDR (0.53) KDRPOLR1AKDM4EALDH1A1POLB
SCHEMBL6308977 0.80 KDR (0.48) KDRPOLR1AKDM4EALDH1A1POLB
SCHEMBL5799391 0.79 KDR (0.56) KDRPOLR1AKDM4EALDH1A1POLB
SCHEMBL5798765 0.78 KDR (0.58) KDRFLT1KDM4EALDH1A1POLB
SCHEMBL5772930 0.77 KDR (0.54) KDRAURKATEKMETLCK

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-20050070508-A1 Napthalene carboxamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. 2005-03-31 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-20050070508-A1 Napthalene carboxamides and their derivatives useful as new anti-angiogenic agents CCNA1, CCNA2, CCNT1 KDR 30/4885AURKA 2306/4885TEK 313/4885

“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.