SCHEMBL1897133

SCHEMBL1897133

CCCn1nc2c(N)nc3c(CCC4CCNCC4)cccc3c2c1N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.43
PRKD3 O94806 2/20 0.36
PRKD1 Q15139 2/20 0.36
PRKD2 Q9BZL6 2/20 0.36
SRC P12931 3/20 0.35
KHK P50053 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
MERTK Q12866 1/20 0.33
TLR7 Q9NYK1 3/20 0.32
TAAR1 Q96RJ0 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
Hydrochloric Acid SCHEMBL1897933 0.99 SLC6A4 (0.45) SLC6A4PRKD3PRKD1PRKD2SRC
SCHEMBL1897131 0.86 SLC6A4 (0.37) SLC6A4PRKD3PRKD1PRKD2SRC
Hydrochloric Acid SCHEMBL1897931 0.86 SLC6A4 (0.39) SLC6A4PRKD3PRKD1PRKD2SRC
SCHEMBL1894485 0.84 TGFBR1 (0.39) SRCJAK2JAK1TYK2JAK3
SCHEMBL1898044 0.80 TLR8 (0.42) SRCTLR7
SCHEMBL1901666 0.75 ADORA2A (0.41) TLR7
SCHEMBL1900995 0.74 HSP90AB1 (0.43) TLR7
Hydrochloric Acid SCHEMBL4519043 0.73 KHK (0.41) SLC6A4KHKMERTKTLR7
SCHEMBL12667231 0.72 TLR7 (0.42) SLC6A4PRKD3PRKD1PRKD2KHK
SCHEMBL1898506 0.72 SRC (0.36) SRCTLR7

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 SLC6A4 3188/4885PRKD3 1419/4885PRKD1 1205/4885

“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.