SCHEMBL2596862

SCHEMBL2596862

Cc1ccc(F)c(-c2cc(N)ccn2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.45
ASIC3 Q9UHC3 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
MAPK14 Q16539 1/20 0.32
MPL P40238 1/20 0.32
FFAR1 O14842 2/20 0.32
MEN1 O00255 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
KMT2A Q03164 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
SCHEMBL2596863 0.79 ASIC3 (0.41) TGFBR1ASIC3IRAK4KDM4ELMNA
SCHEMBL2596884 0.76 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8KDM4ELMNA
SCHEMBL2596829 0.72 TGFBR1 (0.46) TGFBR1ASIC3KDM4ECCR1CCR5
SCHEMBL14146179 0.71 ASIC3 (0.42) ASIC3CCR1CCR5CCR8ALOX5AP
SCHEMBL2598483 0.70 RXFP1 (0.43) TGFBR1CYP3A4CYP2C8POLBMEN1
SCHEMBL314105 0.70 ASIC3 (0.67) ASIC3CYP3A4IRAK4KDM4ELMNA
SCHEMBL352526 0.69 ASIC3 (0.47) ASIC3CYP3A4IRAK4KDM4ECCR1
SCHEMBL2596904 0.68 KDM1A (0.48) TGFBR1ASIC3CYP3A4CYP2C8
SCHEMBL9151109 0.68 ASIC3 (0.64) ASIC3CYP3A4IRAK4KDM4ELMNA
SCHEMBL9132100 0.68 ASIC3 (0.64) ASIC3CYP3A4IRAK4KDM4ELMNA

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 TGFBR1 413/4885ASIC3 1070/4885CYP3A4 65/4885

“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.