SCHEMBL2596872

SCHEMBL2596872

Nc1ccnc(-c2cc(Cl)c(F)cc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.43
TGFBR1 P36897 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C8 P10632 1/20 0.37
EPHB4 P54760 1/20 0.37
SCN9A Q15858 1/20 0.36
KDM1A O60341 2/20 0.35
KDM4C Q9H3R0 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
EGFR P00533 1/20 0.33
KMO O15229 4/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NR4A2 P43354 1/20 0.31
MAPT P10636 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
SCHEMBL31032681 0.81 TGFBR1 (0.45) ASIC3TGFBR1CYP1A2CYP2C8SCN9A
SCHEMBL2596864 0.81 TGFBR1 (0.45) ASIC3TGFBR1CYP1A2CYP2C8SCN9A
SCHEMBL2596904 0.76 KDM1A (0.48) ASIC3TGFBR1CYP2C8KDM1ACYP3A4
SCHEMBL25214123 0.76 KMO (0.49) ASIC3KDM1AALOX5APFEN1KMO
SCHEMBL30117406 0.76 CCR1 (0.46) CYP1A2MAPT
SCHEMBL27893662 0.74 ASIC3 (0.56) ASIC3CYP1A2KDM1ACYP3A4TSHR
SCHEMBL30420906 0.74 ASIC3 (0.56) ASIC3TGFBR1KDM1AALOX5APFEN1
SCHEMBL25011838 0.74 ASIC3 (0.56) ASIC3TGFBR1KDM1AALOX5APFEN1
SCHEMBL2596829 0.73 TGFBR1 (0.46) ASIC3TGFBR1KDM1A
SCHEMBL30547158 0.71 ASIC3 (0.49) ASIC3SCN9ANR4A2

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 1070/4885TGFBR1 413/4885CYP1A2 215/4885

“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.