Hydroxychloroquine

Hydroxychloroquine

SCHEMBL4742350

CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.N

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TLR7TLR9

The experimentally established mechanism targets of Hydroxychloroquine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 known ✓ Q9NR96 1/20 0.98
TLR7 known ✓ Q9NYK1 1/20 0.98
CHRM2 P08172 2/20 0.98
CHRM4 P08173 2/20 0.98
CHRM5 P08912 2/20 0.98
ADRA2A P08913 2/20 0.98
CHRM1 P11229 2/20 0.98
ADRA2B P18089 2/20 0.98
ADRA2C P18825 2/20 0.98
CHRM3 P20309 2/20 0.98
KCNH2 Q12809 2/20 0.98
TMEM97 Q5BJF2 2/20 0.98
SIGMAR1 Q99720 2/20 0.98
ACE2 Q9BYF1 2/20 0.98
LMNA P02545 2/20 0.98
ADRA1D P25100 1/20 0.98
CGAS Q8N884 1/20 0.98
NR4A2 P43354 2/20 0.84
CYP2D6 P10635 1/20 0.84
CYP2C19 P33261 1/20 0.84

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
Hydroxychloroquine SCHEMBL6746375 0.99 CHRM2 (1.00) CHRM2CHRM4CHRM5ADRA2ACHRM1
Hydroxychloroquine SCHEMBL29359553 0.99 CHRM2 (1.00) CHRM2CHRM4CHRM5ADRA2ACHRM1
Hydroxychloroquine SCHEMBL31023589 0.99 CHRM2 (1.00) CHRM2CHRM4CHRM5ADRA2ACHRM1
Hydroxychloroquine SCHEMBL9047 0.99 CHRM2 (1.00) CHRM2CHRM4CHRM5ADRA2ACHRM1
Hydroxychloroquine SCHEMBL8623049 0.99 CHRM2 (1.00) CHRM2CHRM4CHRM5ADRA2ACHRM1
Hydroxychloroquine SCHEMBL30107680 0.99 CHRM2 (1.00) CHRM2CHRM4CHRM5ADRA2ACHRM1
Hydroxychloroquine SCHEMBL8170 0.99 CHRM2 (1.00) CHRM2CHRM4CHRM5ADRA2ACHRM1
Hydroxychloroquine SCHEMBL29430237 0.99 CHRM2 (1.00) CHRM2CHRM4CHRM5ADRA2ACHRM1
Hydroxychloroquine SCHEMBL23854335 0.98 CHRM2 (0.98) CHRM2CHRM4CHRM5ADRA2ACHRM1
Hydroxychloroquine SCHEMBL4204503 0.98 CHRM2 (0.98) CHRM2CHRM4CHRM5ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008103409-A2 COMPOSITIONS OF CHLOROQUINE COUPLED TO ANTIBODIES AND TO OTHER PROTEINS WITH METHODS FOR THEIR SYNTHESIS KOSAK KEN M 2008-08-28 WO disclosed
US-20080051323-A1 Chloroquine drug compositions and methods for their synthesis KOSAK KENNETH M 2008-02-28 US disclosed
US-20070166281-A1 Chloroquine coupled antibodies and other proteins with methods for their synthesis KOSAK KENNETH M 2007-07-19 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 (4 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-20070166281-A1 Chloroquine coupled antibodies and other proteins with methods for their synthesis GPR119, CLTA, CHMP4B TLR9 63/4885TLR7 73/4885CHRM2 3747/4885
US-20070060499-A1 Chloroquine combination drugs and methods for their synthesis CHMP4B, CTSA, CLTA TLR9 31/4885TLR7 28/4885CHRM2 2645/4885
US-20080051323-A1 Chloroquine drug compositions and methods for their synthesis CHMP4B, CTSA, CLTA TLR9 31/4885TLR7 20/4885CHRM2 2827/4885
US-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis TLR9, TLR3, EXOSC5 TLR9 1/4885TLR7 6/4885CHRM2 3882/4885

“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.