SCHEMBL2596912

SCHEMBL2596912

CNC(=O)Cn1cc2ncc(F)c(Cl)c2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.47
MAT2A P31153 1/20 0.38
CYP3A4 P08684 1/20 0.36
PTPN11 Q06124 1/20 0.36
PDK2 Q15119 3/20 0.35
PDE4D Q08499 1/20 0.34
FGFR1 P11362 3/20 0.33
FGFR2 P21802 3/20 0.33
FGFR4 P22455 3/20 0.33
FGFR3 P22607 3/20 0.33
KDR P35968 3/20 0.33
PLK1 P53350 1/20 0.33
JAK3 P52333 1/20 0.32
MAPT P10636 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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) TGFBR1MAT2AMAPTLMNA
SCHEMBL2596981 0.70 TGFBR1 (0.36) TGFBR1PTPN11FGFR3KDRSMN1; SMN2
SCHEMBL2596859 0.69 TGFBR1 (0.60) TGFBR1CYP3A4
SCHEMBL10084730 0.62 ALPI (0.51) CYP3A4PDK2PLK1MAPTLMNA
SCHEMBL15650997 0.61 RAB9A (0.42) TGFBR1MAT2APLK1LMNA
SCHEMBL23011679 0.60 CCNC (0.43) PDK2PLK1JAK3MAPTSMN1; SMN2
SCHEMBL17605717 0.60 ALDH1A1 (0.47) PDK2PLK1MAPTLMNASMN1; SMN2
SCHEMBL17207643 0.60 TAS2R8 (0.44) PDK2KDRPLK1JAK3MAPT
SCHEMBL17382262 0.60 CCNC (0.43) PDK2PLK1JAK3MAPT
SCHEMBL1662956 0.60 CCNC (0.43) PDK2KDRPLK1MAPTLMNA

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 2421/4885CYP3A4 65/4885

“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.