SCHEMBL2596981

SCHEMBL2596981

Cn1cc2ncc(F)c(Cl)c2n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
PTPN11 Q06124 1/20 0.30
MET P08581 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL2596743 0.78 TGFBR1 (0.39) TGFBR1
SCHEMBL28696107 0.73 DAO (0.36) SMN1; SMN2
SCHEMBL31447548 0.71 ADORA2A (0.38) SMN1; SMN2HRH4HRH3PTPN11LRRK2
SCHEMBL12725087 0.68 PDE4A (0.35) HRH4HRH3
SCHEMBL10844719 0.67 KMT2A (0.51) SMN1; SMN2
SCHEMBL9961411 0.67 TGFBR1 (0.37) TGFBR1SMN1; SMN2MET
SCHEMBL29303410 0.66 HRH4 (0.36) SMN1; SMN2HRH4HRH3PTPN11
SCHEMBL2598455 0.66 TUBB4A (0.35) TGFBR1SMN1; SMN2
SCHEMBL31344817 0.64 KDM4E (0.33)
SCHEMBL19630018 0.64 KDR (0.33) SMN1; SMN2KDR

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 413/4885SMN1; SMN2 4457/4885HRH4 321/4885

“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.