SCHEMBL2596835

SCHEMBL2596835

COc1ccc(Cn2cc3nccc(Nc4cc(C)nc(-c5cc(Cl)ccc5F)c4)c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.54
CYP3A4 P08684 1/20 0.54
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
ACVR1B P36896 2/20 0.39
ACVRL1 P37023 2/20 0.39
ACVR1 Q04771 2/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39

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
SCHEMBL2596806 0.90 TGFBR1 (0.66) TGFBR1CYP3A4
SCHEMBL2596796 0.85 TGFBR1 (0.69) TGFBR1CYP3A4ACVR1BACVRL1ACVR1
SCHEMBL2596739 0.83 TGFBR1 (0.56) TGFBR1CYP3A4PSEN1PSEN2APH1B
SCHEMBL2598369 0.82 TGFBR1 (0.51) TGFBR1CYP3A4ACVR1BACVRL1ACVR1
SCHEMBL2596865 0.82 TGFBR1 (0.80) TGFBR1CYP3A4ACVR1BACVRL1ACVR1
SCHEMBL2596813 0.82 TGFBR1 (0.51) TGFBR1CYP3A4PSEN1PSEN2APH1B
SCHEMBL2596866 0.81 TGFBR1 (0.53) TGFBR1CYP3A4
SCHEMBL2596920 0.79 TGFBR1 (0.53) TGFBR1CYP3A4
SCHEMBL2596798 0.79 TGFBR1 (0.68) TGFBR1CYP3A4
SCHEMBL2596840 0.77 TGFBR1 (0.58) TGFBR1CYP3A4ACVR1BACVRL1ACVR1

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 413/4885CYP3A4 65/4885PSEN1 3075/4885

“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.