SCHEMBL13813617

SCHEMBL13813617

COc1ccc(N(Cc2cncc(-c3cc(OC)c(OC)c(OC)c3)c2)C2CCN(Cc3ccnc(-c4ccc(OC)c(OC)c4)c3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TGFBR1 P36897 2/20 0.37
ACVR1 Q04771 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
QPCT Q16769 2/20 0.36
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
CCR5 P51681 4/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3484870 0.95 CYP3A4 (0.40) CYP3A4TGFBR1ACVR1DRD2DRD4
Hydrochloric Acid SCHEMBL4111147 0.95 CYP3A4 (0.39) CYP3A4TGFBR1ACVR1DRD2DRD4
SCHEMBL13813513 0.94 QPCT (0.39) TGFBR1ACVR1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4110539 0.93 QPCT (0.38) TGFBR1ACVR1DRD2DRD4DRD3
SCHEMBL13800898 0.93 DRD2 (0.40) CYP3A4DRD2DRD4DRD3JAK2
SCHEMBL13800335 0.93 CYP3A4 (0.39) CYP3A4TGFBR1ACVR1DRD2DRD4
Hydrochloric Acid SCHEMBL4132310 0.93 DRD2 (0.40) CYP3A4DRD2DRD4DRD3JAK2
Hydrochloric Acid SCHEMBL7218578 0.92 CYP3A4 (0.39) CYP3A4TGFBR1ACVR1DRD2DRD4
SCHEMBL13800842 0.92 CHRM2 (0.38) CYP3A4TGFBR1ACVR1DRD2DRD4
SCHEMBL13800844 0.92 CHRM2 (0.38) CYP3A4TGFBR1ACVR1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 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 (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-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 CYP3A4 3032/4885TGFBR1 2250/4885ACVR1 41/4885

“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.