SCHEMBL2596841

SCHEMBL2596841

CCn1cc2nccc(I)c2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.40
MAT2A P31153 4/20 0.35
COMT P21964 1/20 0.34
TP53 P04637 4/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2596807 0.80 JAK2 (0.32) TGFBR1
SCHEMBL2596979 0.78 TGFBR1 (0.41) TGFBR1MAT2A
SCHEMBL27022336 0.77 TGFBR1 (0.39) TGFBR1MAT2ACOMTKDM4EALDH1A1
SCHEMBL2596805 0.76 CCNK (0.41) MAT2ATP53KDM4EALDH1A1MAPT
SCHEMBL2596945 0.71 ALDH1A1 (0.38) TP53KDM4EALDH1A1GAAMAPT
SCHEMBL2596946 0.71 ALDH1A1 (0.38) TP53KDM4EALDH1A1GAAMAPT
SCHEMBL2596815 0.70 KDM4C (0.39) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL12725097 0.70 ENPP1 (0.36) TGFBR1MAT2ATP53ALDH1A1MAPT
SCHEMBL29586047 0.68 COMT (0.35) TGFBR1COMTKDM4EALDH1A1L3MBTL1
SCHEMBL2596776 0.68 TGFBR1 (0.36) TGFBR1

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 413/4885MAT2A 2421/4885COMT 2303/4885

“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.