SCHEMBL2596974

SCHEMBL2596974

Cc1cnc(-c2cc(F)ccc2F)cc1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C8 P10632 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ABL1 P00519 3/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
ALDH1A1 P00352 1/20 0.37
AGPAT2 O15120 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL2596845 0.86 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8
SCHEMBL14018473 0.75 KDM1A (0.44) TGFBR1CYP3A4CYP2C8L3MBTL1CASP3
SCHEMBL14019267 0.75 FEN1 (0.55) ALOX5APFEN1
SCHEMBL2596804 0.74 AGPAT2 (0.39) TGFBR1CYP3A4CYP2C8L3MBTL1CASP3
SCHEMBL13951687 0.74 TGFBR1 (0.44) TGFBR1
SCHEMBL2596884 0.73 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8ALDH1A1ALOX5AP
SCHEMBL2596749 0.73 ABL1 (0.43) TGFBR1CYP3A4CYP2C8L3MBTL1CASP3
SCHEMBL2596904 0.71 KDM1A (0.48) TGFBR1CYP3A4CYP2C8L3MBTL1CASP3
SCHEMBL2403768 0.70 KDM1A (0.53) TGFBR1CYP3A4CASP3SENP7
SCHEMBL22270336 0.69 TGFBR1 (0.50) TGFBR1CYP3A4CYP2C8

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 413/4885CYP3A4 65/4885CYP2C8 178/4885

“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.