SCHEMBL2596776

SCHEMBL2596776

O=C(O)N1CCC(Cn2cc3nccc(I)c3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.36
KDM2B Q8NHM5 1/20 0.34
BTK Q06187 3/20 0.34
KDM4C Q9H3R0 1/20 0.33
IDO1 P14902 1/20 0.33
GRIN2B Q13224 4/20 0.33
BRD4 O60885 3/20 0.32
CHRM4 P08173 1/20 0.31
CHRM3 P20309 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
SCHEMBL14994146 0.67 MAPT (0.37) BTKBRD4
SCHEMBL19128878 0.65 RHOA (0.43) GRIN2B
SCHEMBL2596946 0.65 ALDH1A1 (0.38)
SCHEMBL2598391 0.65 JAK1 (0.36) BTK
SCHEMBL4957387 0.65 FOLH1 (0.36)
SCHEMBL27691254 0.64 LMNA (0.41)
SCHEMBL28188377 0.64 ENPP2 (0.40) BTK
SCHEMBL14994825 0.64 IRAK4 (0.41) BRD4
SCHEMBL1581991 0.64 CCR5 (0.52)
SCHEMBL22462979 0.64 CHRM3 (0.39) BTKCHRM3

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 413/4885KDM2B 82/4885BTK 1076/4885

“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.