SCHEMBL1894483

SCHEMBL1894483

CCCn1nc2c(N)nc3cccc(CCC4CCN(C(C)=O)CC4)c3c2c1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.37
KCNH2 Q12809 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
IDO1 P14902 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
BRD4 O60885 1/20 0.33
AOC3 Q16853 1/20 0.33
SRC P12931 1/20 0.33
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL1894485 0.88 TGFBR1 (0.39) TGFBR1KCNH2JAK2JAK1TYK2
SCHEMBL1898506 0.86 SRC (0.36) TGFBR1HTR2AHTR2CSRCTLR8
SCHEMBL1897131 0.84 SLC6A4 (0.37) JAK2JAK1TYK2JAK3SRC
Hydrochloric Acid SCHEMBL1897931 0.84 SLC6A4 (0.39) SRCTLR8
SCHEMBL1898043 0.79 ELANE (0.43) TLR8
SCHEMBL5532872 0.76 TLR7 (0.39) TGFBR1KCNH2JAK1JAK3TLR8
SCHEMBL4534637 0.74 JAK1 (0.40) TGFBR1JAK1JAK3BRD4
SCHEMBL1901663 0.72 TLR8 (0.44) TLR8
SCHEMBL1897133 0.72 SLC6A4 (0.43) JAK2JAK1TYK2JAK3SRC
Hydrochloric Acid SCHEMBL1897933 0.71 SLC6A4 (0.45) JAK2JAK1TYK2JAK3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
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 TGFBR1 2880/4885KCNH2 1680/4885JAK2 73/4885

“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.