SCHEMBL4959441

SCHEMBL4959441

C1=Nc2cccc3nc4ccccc4c(c23)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.46
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
GLA P06280 4/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAOA P21397 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
NQO2 P16083 1/20 0.37
DRD1 P21728 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL634465 0.77 GRK6 (0.50) GRK6KDM4EALDH1A1GLAHPGD
SCHEMBL28259756 0.70 KDM4E (0.41) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL9742367 0.69 KDM4E (0.36) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL10469497 0.66 ALDH1A1 (0.39) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL5476684 0.65 KDM4E (0.52) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL10649168 0.65 KDM4E (0.42) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL8112 0.63 GRK6 (1.00) GRK6KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL29778809 0.63 GRK6 (1.00) GRK6KDM4EALDH1A1SMN1; SMN2TDP1
Bromide SCHEMBL31741343 0.62 GRK6 (0.96) GRK6KDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL11423019 0.62 GRK6 (0.96) GRK6KDM4EALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198671-A1 PROTECTED ANTIBODY-DRUG AND APTAMER-DRUG CONJUGATES KOSAK KENNETH MICHAEL (US) 2021-07-01 US disclosed
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-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis KOSAK KENNETH M 2006-02-23 US disclosed
US-20050153913-A1 Nucleic acid carrier compositions and methods for their synthesis KOSAK KENNETH M (US) 2005-07-14 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-20080051323-A1 Chloroquine drug compositions and methods for their synthesis CHMP4B, CTSA, CLTA GRK6 1818/4885KDM4E 2091/4885ALDH1A1 4743/4885
US-20210198671-A1 PROTECTED ANTIBODY-DRUG AND APTAMER-DRUG CONJUGATES ZFR, APP, RBM26 GRK6 3699/4885KDM4E 4317/4885ALDH1A1 1853/4885
US-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis TLR9, TLR3, EXOSC5 GRK6 1387/4885KDM4E 3418/4885ALDH1A1 4696/4885
US-20050153913-A1 Nucleic acid carrier compositions and methods for their synthesis DNA2, POLRMT, SLC29A2 GRK6 2496/4885KDM4E 4804/4885ALDH1A1 2130/4885

“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.