SCHEMBL2596877

SCHEMBL2596877

Fc1cnc2cn(CCOC3CCCCO3)nc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MET P08581 3/20 0.39
KDM4C Q9H3R0 1/20 0.38
P2RX3 P56373 9/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATR Q13535 1/20 0.31

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
SCHEMBL2596820 0.81 L3MBTL1 (0.30) L3MBTL1P2RX3
SCHEMBL2596788 0.79 MET (0.44) L3MBTL1METKDM4CP2RX3NPC1
SCHEMBL2598449 0.78 L3MBTL1 (0.40) L3MBTL1METKDM4CP2RX3NPC1
SCHEMBL2596744 0.73 MEN1 (0.40) L3MBTL1METKDM4CP2RX3NPC1
SCHEMBL28353872 0.70 KDM4C (0.42) L3MBTL1METKDM4CP2RX3NPC1
SCHEMBL19015255 0.70 NPC1 (0.41) L3MBTL1METKDM4CP2RX3NPC1
SCHEMBL26916099 0.69 L3MBTL1 (0.39) L3MBTL1KDM4CP2RX3NPC1RAB9A
SCHEMBL2697838 0.69 MET (0.50) L3MBTL1METKDM4CP2RX3NPC1
SCHEMBL15742257 0.69 KDM4C (0.38) L3MBTL1METKDM4CP2RX3NPC1
SCHEMBL2631762 0.69 MET (0.45) L3MBTL1METKDM4CP2RX3NPC1

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 L3MBTL1 4595/4885MET 475/4885KDM4C 148/4885

“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.