SCHEMBL5772756

SCHEMBL5772756

O=C(NCCCN1CCOCC1)c1cccc2cc(Oc3ncnc4ccsc34)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.51
MET P08581 2/20 0.51
KDR P35968 2/20 0.51
TEK Q02763 2/20 0.51
AURKB Q96GD4 2/20 0.51
JAK3 P52333 3/20 0.47
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
SCN9A Q15858 1/20 0.45
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NR2C2 P49116 1/20 0.43

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 0.95 KDR (0.53) AURKAMETKDRTEKAURKB
SCHEMBL6307112 0.83 AURKA (0.51) AURKAMETKDRTEKAURKB
SCHEMBL6310083 0.83 KDR (0.52) AURKAMETKDRTEKAURKB
SCHEMBL5772207 0.76 KDR (0.54) AURKAMETKDRTEKAURKB
SCHEMBL5796823 0.76 KDR (0.48) KDRHSD17B10SCN9AKDM4EALDH1A1
SCHEMBL6309553 0.74 KDR (0.53) KDRHSD17B10SCN9AKDM4EALDH1A1
SCHEMBL5799391 0.74 KDR (0.56) KDRHSD17B10SCN9AKDM4EALDH1A1
SCHEMBL6307064 0.74 KDR (0.58) AURKAMETKDRTEKAURKB
SCHEMBL6308977 0.73 KDR (0.48) KDRHSD17B10SCN9AKDM4EALDH1A1
SCHEMBL6314939 0.72 KDR (0.49) AURKAMETKDRTEKAURKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660503-A1 NAPHTHALENE CARBOXAMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2006-05-31 EP disclosed
US-20050070508-A1 Napthalene carboxamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. 2005-03-31 US disclosed
WO-2005021553-A1 NAPHTHALENE CARBOXAMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2005-03-10 WO 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 AURKA 2306/4885MET 3202/4885KDR 30/4885

“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.