SCHEMBL2596863

SCHEMBL2596863

Cc1cc(N)c(F)c(-c2cc(N)ccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.36
NCF1 P14598 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
FFAR1 O14842 3/20 0.32
TERT O14746 1/20 0.32
DOT1L Q8TEK3 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NR4A2 P43354 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
MEN1 O00255 1/20 0.31
NOS3 P29474 1/20 0.31

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
SCHEMBL2596862 0.79 TGFBR1 (0.45) ASIC3IRAK4CCR1CCR5CCR8
SCHEMBL2596885 0.76 UHRF1 (0.35) NCF1TERTNOS3NOS1NOS2
SCHEMBL352526 0.71 ASIC3 (0.47) ASIC3IRAK4CCR1CCR5CCR8
SCHEMBL314105 0.69 ASIC3 (0.67) ASIC3IRAK4CCR1CCR5CCR8
SCHEMBL14146179 0.67 ASIC3 (0.42) ASIC3CCR1CCR5CCR8
SCHEMBL9151109 0.67 ASIC3 (0.64) ASIC3IRAK4CCR1CCR5CCR8
SCHEMBL9132100 0.67 ASIC3 (0.64) ASIC3IRAK4CCR1CCR5CCR8
SCHEMBL9132675 0.67 ASIC3 (0.64) ASIC3IRAK4CCR1CCR5CCR8
SCHEMBL21386824 0.66 CCR1 (0.74) ASIC3IRAK4CCR1CCR5CCR8
SCHEMBL198142 0.66 ASIC3 (0.48) ASIC3NCF1CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073918-B2 Pyrazolo[4,3-b]pyridine-7-amine inhibitors of ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-07 US disclosed
US-20130324528-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-05 US disclosed
WO-2011146287-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 WO 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-20130324528-A1 PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 ALK, ALKBH5, ALKBH3 ASIC3 1070/4885IRAK4 608/4885NCF1 3114/4885

“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.