SCHEMBL2596828

SCHEMBL2596828

O=C1c2ccccc2C(=O)N1c1ccnc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
NR1H3 Q13133 1/20 0.45
GRM5 P41594 1/20 0.44
SCN2A Q99250 2/20 0.44
PIM3 Q86V86 1/20 0.43
HIPK4 Q8NE63 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
PSMD14 O00487 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL29923363 0.79 SCN2A (0.50) MEN1KMT2AHTTNR1H3GRM5
SCHEMBL19359448 0.79 SCN2A (0.50) MEN1KMT2AHTTNR1H3GRM5
SCHEMBL5310025 0.75 NPC1 (0.58) MEN1KMT2AHTTKDM4ESMN1; SMN2
SCHEMBL11619942 0.74 KDM4E (0.70) MEN1KMT2AHTTNR1H3SCN2A
SCHEMBL725608 0.73 NR1H3 (0.67) MEN1KMT2AHTTNR1H3GRM5
SCHEMBL29841157 0.73 MGLL (0.61) MEN1KMT2AHTTNR1H3GRM5
SCHEMBL30368482 0.73 MGLL (0.61) MEN1KMT2AHTTNR1H3GRM5
SCHEMBL7547818 0.73 MGLL (0.61) MEN1KMT2AHTTNR1H3GRM5
SCHEMBL11585645 0.72 KDM4E (0.49) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL16635299 0.72 KMT2A (0.51) MEN1KMT2AHTTKDM4EALDH1A1

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 MEN1 2598/4885KMT2A 1750/4885HTT 4556/4885

“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.