SCHEMBL2596788

SCHEMBL2596788

Ic1ccnc2cn(CCOC3CCCCO3)nc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.44
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ATR Q13535 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
P2RX3 P56373 8/20 0.35
TGFBR1 P36897 2/20 0.34
TGFBR2 P37173 1/20 0.32

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
SCHEMBL2596744 0.94 MEN1 (0.40) METKDM4CMEN1KMT2AL3MBTL1
SCHEMBL2596877 0.79 L3MBTL1 (0.39) METKDM4CMEN1KMT2AL3MBTL1
SCHEMBL2598454 0.76 MET (0.43) METKDM4CMEN1KMT2AL3MBTL1
SCHEMBL16279570 0.76 MET (0.39) METKDM4CMEN1KMT2AL3MBTL1
SCHEMBL15742257 0.75 KDM4C (0.38) METKDM4CMEN1KMT2AL3MBTL1
SCHEMBL2596815 0.75 KDM4C (0.39) KDM4CMEN1KMT2A
SCHEMBL25389070 0.74 KDM4C (0.42) METKDM4CMEN1KMT2AL3MBTL1
SCHEMBL2598436 0.72 MEN1 (0.40) METKDM4CMEN1KMT2AL3MBTL1
SCHEMBL299606 0.72 MET (0.44) METKDM4CMEN1KMT2AL3MBTL1
SCHEMBL28353872 0.72 KDM4C (0.42) METKDM4CMEN1KMT2AL3MBTL1

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 MET 475/4885KDM4C 148/4885MEN1 2598/4885

“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.