SCHEMBL6467969

SCHEMBL6467969

COc1cc(OC)c2nc(Nc3nc(O)c4c(OC)c(OC)ccc4n3)nc(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TDP2 O95551 1/20 0.38
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 9/20 0.37
MEN1 O00255 7/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
GAA P10253 2/20 0.37
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 7/20 0.37
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 3/20 0.36

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
Hydrochloric Acid SCHEMBL6470466 0.99 NPSR1 (0.41) NPSR1PDE3BPDE3ATDP2KDM4E
SCHEMBL6469370 0.84 ABCG2 (0.44) NPSR1PDE3BPDE3AKDM4EKMT2A
Hydrochloric Acid SCHEMBL6470480 0.83 SLC2A1 (0.45) NPSR1PDE3BPDE3AKDM4EKMT2A
Hydrochloric Acid SCHEMBL6469146 0.81 KDM4E (0.40) NPSR1TDP2KDM4EKMT2AMEN1
SCHEMBL6469112 0.79 JUND (0.43) NPSR1KDM4EKMT2AMEN1CYP1A2
Trifluoroacetic Acid SCHEMBL6467073 0.79 KMT2A (0.39) NPSR1TDP2KDM4EKMT2AMEN1
Trifluoroacetic Acid SCHEMBL6468650 0.78 KMT2A (0.38) NPSR1TDP2KDM4EKMT2AMEN1
Trifluoroacetic Acid SCHEMBL6470460 0.78 KMT2A (0.35) NPSR1TDP2KDM4EKMT2AMEN1
SCHEMBL6468658 0.78 KMT2A (0.36) NPSR1TDP2KDM4EKMT2AMEN1
Trifluoroacetic Acid SCHEMBL6469119 0.76 KDM4E (0.39) NPSR1TDP2KDM4EKMT2AMEN1

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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US claimed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO claimed
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB NPSR1 4093/4885PDE3B 1924/4885PDE3A 1788/4885

“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.