Primaquine

Primaquine

SCHEMBL4954948

COc1cc(NC(C)CCCN)c2ncccc2c1.NP(O)O

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.90
ALDH1A1 P00352 3/20 0.90
CYP1A2 P05177 2/20 0.90
CASP1 P29466 2/20 0.90
TP53 P04637 2/20 0.90
ABCB11 O95342 1/20 0.90
ESR1 P03372 1/20 0.90
PGR P06401 1/20 0.90
ADRB2 P07550 1/20 0.90
CHRM2 P08172 1/20 0.90
ADRB1 P08588 1/20 0.90
HTR1A P08908 1/20 0.90
ADRA2A P08913 1/20 0.90
ADORA3 P0DMS8 1/20 0.90
NQO2 P16083 1/20 0.90
MAOA P21397 1/20 0.90
PTGS1 P23219 1/20 0.90
SLC6A2 P23975 1/20 0.90
MAOB P27338 1/20 0.90
PDE4A P27815 1/20 0.90

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
Primaquine SCHEMBL22208 0.95 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL29409423 0.95 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL12599100 0.95 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL22207 0.95 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL4959404 0.94 KDM4E (0.98) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL979493 0.94 KDM4E (0.98) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL6333949 0.94 KDM4E (0.98) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL9240759 0.93 KDM4E (0.92) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL29576219 0.91 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL41096 0.91 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53

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-20080051323-A1 Chloroquine drug compositions and methods for their synthesis KOSAK KENNETH M 2008-02-28 US disclosed
WO-2007040469-A2 CHLOROQUINE COUPLED COMPOSITIONS AND METHODS FOR THEIR SYNTHESIS KOSAK KEN M (US) 2007-04-12 WO disclosed
US-20070060499-A1 Chloroquine combination drugs and methods for their synthesis KOSAK KENNETH M 2007-03-15 US disclosed
US-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis KOSAK KENNETH M 2006-02-23 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 (3 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-20070060499-A1 Chloroquine combination drugs and methods for their synthesis CHMP4B, CTSA, CLTA KDM4E 2153/4885ALDH1A1 4767/4885CYP1A2 4410/4885
US-20080051323-A1 Chloroquine drug compositions and methods for their synthesis CHMP4B, CTSA, CLTA KDM4E 2091/4885ALDH1A1 4743/4885CYP1A2 4412/4885
US-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis TLR9, TLR3, EXOSC5 KDM4E 3418/4885ALDH1A1 4696/4885CYP1A2 4743/4885

“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.