SCHEMBL4373769

SCHEMBL4373769

O=[N+]([O-])c1cc(Oc2ccnc3ccccc23)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.49
KDR P35968 6/20 0.46
PDGFRA P16234 3/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
MCL1 Q07820 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BRAF P15056 1/20 0.43
MAPK14 Q16539 1/20 0.43
TNNI3K Q59H18 1/20 0.43
CTSB P07858 3/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL4364077 0.89 POLB (0.48) KDRPDGFRAPOLBMAPTALDH1A1
SCHEMBL4934776 0.79 HTT (0.53) KDRPDGFRAPOLBMAPTMEN1
SCHEMBL1591706 0.79 POLB (0.58) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL4361630 0.79 MET (0.45) KDRBRAFMAPK14TNNI3K
SCHEMBL4360333 0.78 NCF1 (0.46) KDRPDGFRAMAPTMEN1KMT2A
SCHEMBL26686690 0.76 TLR4 (0.51) ABCG2MAPTMEN1KMT2AKDM4E
SCHEMBL1581489 0.75 GPR35 (0.60) POLBMAPTMEN1KMT2AKDM4E
SCHEMBL1602832 0.74 MAPK1 (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4367899 0.73 ABCG2 (0.67) ABCG2KDRPOLBMAPTMEN1
SCHEMBL10655484 0.73 ALDH1A1 (0.51) KDRPDGFRAPOLBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS ABCG2 91/4885KDR 83/4885PDGFRA 780/4885

“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.