SCHEMBL2596904

SCHEMBL2596904

Nc1ccnc(-c2cc(F)ccc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.48
TGFBR1 P36897 13/20 0.47
ASIC3 Q9UHC3 1/20 0.46
CDC7 O00311 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
MAP3K14 Q99558 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL25214123 0.86 KMO (0.49) KDM1AASIC3MAP3K14L3MBTL1CASP3
SCHEMBL2596864 0.84 TGFBR1 (0.45) TGFBR1ASIC3MAP3K14CYP3A4CYP2C8
SCHEMBL31032681 0.84 TGFBR1 (0.45) TGFBR1ASIC3MAP3K14CYP3A4CYP2C8
SCHEMBL2596829 0.83 TGFBR1 (0.46) KDM1ATGFBR1ASIC3
SCHEMBL30420906 0.80 ASIC3 (0.56) KDM1ATGFBR1ASIC3L3MBTL1CASP3
SCHEMBL25011838 0.80 ASIC3 (0.56) KDM1ATGFBR1ASIC3L3MBTL1CASP3
SCHEMBL2652006 0.76 CCR1 (0.52) TGFBR1
SCHEMBL2596872 0.76 ASIC3 (0.43) KDM1ATGFBR1ASIC3CYP3A4CYP2C8
SCHEMBL21055972 0.76 ASIC3 (0.66) KDM1ATGFBR1ASIC3CDK2
SCHEMBL30437053 0.76 ASIC3 (0.66) KDM1ATGFBR1ASIC3CDK2

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 KDM1A 332/4885TGFBR1 413/4885ASIC3 1070/4885

“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.