SCHEMBL2596811

SCHEMBL2596811

COc1ccc(Cn2cc3nccc(Nc4nc(-c5cc(F)ccc5F)ncc4C)c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.51
BUB1 O43683 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C8 P10632 1/20 0.38
P2RX7 Q99572 1/20 0.36

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
SCHEMBL2596813 0.94 TGFBR1 (0.51) TGFBR1BUB1PSEN1PSEN2APH1B
SCHEMBL2596798 0.86 TGFBR1 (0.68) TGFBR1CYP3A4CYP2C8
SCHEMBL2598352 0.83 TGFBR1 (0.49) TGFBR1BUB1CYP3A4CYP2C8P2RX7
SCHEMBL2596866 0.82 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8
SCHEMBL2596796 0.80 TGFBR1 (0.69) TGFBR1CYP3A4CYP2C8
SCHEMBL2596840 0.78 TGFBR1 (0.58) TGFBR1CYP3A4CYP2C8
SCHEMBL2598462 0.77 TGFBR1 (0.50) TGFBR1BUB1CYP3A4CYP2C8P2RX7
SCHEMBL12185547 0.76 TGFBR1 (0.75) TGFBR1CYP3A4CYP2C8
SCHEMBL2596835 0.75 TGFBR1 (0.54) TGFBR1PSEN1PSEN2APH1BNCSTN
SCHEMBL2596806 0.74 TGFBR1 (0.66) TGFBR1CYP3A4

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 413/4885BUB1 1468/4885PSEN1 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.