SCHEMBL2596744

SCHEMBL2596744

Ic1ccnc2cn(CCCOC3CCCCO3)nc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MET P08581 2/20 0.39
TGFBR1 P36897 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
P2RX3 P56373 9/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TGFBR2 P37173 1/20 0.35
EPHA2 P29317 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATR Q13535 1/20 0.33

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
SCHEMBL2596788 0.94 MET (0.44) MEN1KMT2AMETTGFBR1KDM4C
SCHEMBL2598436 0.77 MEN1 (0.40) MEN1KMT2AMETTGFBR1KDM4C
SCHEMBL2596815 0.73 KDM4C (0.39) MEN1KMT2AKDM4C
SCHEMBL15008222 0.73 MEN1 (0.41) MEN1KMT2AMETTGFBR1KDM4C
SCHEMBL2596877 0.73 L3MBTL1 (0.39) MEN1KMT2AMETKDM4CP2RX3
SCHEMBL2598454 0.72 MET (0.43) MEN1KMT2AMETTGFBR1KDM4C
SCHEMBL24638427 0.71 ATR (0.41) MEN1KMT2AMETTGFBR1KDM4C
SCHEMBL23116096 0.71 MEN1 (0.44) MEN1KMT2AMETTGFBR1KDM4C
SCHEMBL16279570 0.70 MET (0.39) MEN1KMT2AMETKDM4CP2RX3
SCHEMBL23703927 0.69 KDM4C (0.51) MEN1KMT2AMETTGFBR1KDM4C

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 1750/4885MET 475/4885

“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.