SCHEMBL2596864

SCHEMBL2596864

Nc1ccnc(-c2cc(Cl)ccc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.45
ASIC3 Q9UHC3 1/20 0.44
SCN9A Q15858 2/20 0.43
CYP3A4 P08684 3/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
CYP2C8 P10632 1/20 0.40
KMO O15229 2/20 0.39
NR4A2 P43354 2/20 0.39
SOS2 Q07890 1/20 0.39
MAP3K14 Q99558 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVR1B P36896 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
CYP1A2 P05177 1/20 0.37
JAK2 O60674 1/20 0.37

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 1.00 TGFBR1 (0.45) TGFBR1ASIC3SCN9ACYP3A4KCNH2
SCHEMBL320090 0.85 TGFBR1 (0.49) TGFBR1CYP3A4CYP2C8KMOBMPR1A
SCHEMBL2596904 0.84 KDM1A (0.48) TGFBR1ASIC3CYP3A4CYP2C8MAP3K14
SCHEMBL1819085 0.84 GRM2 (0.44) TGFBR1ASIC3SCN9AKMO
SCHEMBL2596872 0.81 ASIC3 (0.43) TGFBR1ASIC3SCN9ACYP3A4CYP2C8
SCHEMBL2596829 0.81 TGFBR1 (0.46) TGFBR1ASIC3
SCHEMBL319843 0.79 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8KMOBMPR1A
SCHEMBL16488500 0.79 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8KMOBMPR1A
SCHEMBL25011838 0.79 ASIC3 (0.56) TGFBR1ASIC3DYRK1A
SCHEMBL30420906 0.79 ASIC3 (0.56) TGFBR1ASIC3DYRK1A

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 1070/4885SCN9A 1815/4885

“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.