SCHEMBL4534637

SCHEMBL4534637

CCCn1nc2c(NCCC3CCN(C(C)=O)CC3)nc3ccccc3c2c1N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
NPY5R Q15761 1/20 0.39
NCF1 P14598 2/20 0.39
ACP1 P24666 2/20 0.37
TGFBR1 P36897 2/20 0.36
SLC2A1 P11166 2/20 0.36
BTK Q06187 1/20 0.36
PIK3CG P48736 1/20 0.36
BRD4 O60885 1/20 0.35
ACHE P22303 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
TOP2A P11388 1/20 0.35
HTR4 Q13639 1/20 0.34

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
SCHEMBL1897847 0.86 NPY5R (0.47) NPY5RACP1SLC2A1PIK3CGACHE
SCHEMBL5532872 0.85 TLR7 (0.39) JAK1JAK3NPY5RNCF1ACP1
Hydrochloric Acid SCHEMBL4519043 0.84 KHK (0.41) NPY5RSLC2A1BRD4TOP2AHTR4
SCHEMBL1894485 0.76 TGFBR1 (0.39) JAK1JAK3TGFBR1
SCHEMBL1894853 0.75 TLR8 (0.38) NPY5R
SCHEMBL1894483 0.74 TGFBR1 (0.37) JAK1JAK3TGFBR1BRD4
SCHEMBL4532570 0.74 TLR8 (0.40) SLC2A1ACHE
SCHEMBL4529519 0.71 NPY5R (0.47) NPY5RACP1SLC2A1ACHE
SCHEMBL1898389 0.69 TLR7 (0.52)
SCHEMBL12667231 0.69 TLR7 (0.42) NPY5RSLC2A1HTR4

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-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 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 (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-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof IL4, IL2, IL1A JAK1 92/4885JAK3 108/4885NPY5R 2178/4885

“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.