SCHEMBL2596769

SCHEMBL2596769

Nc1ccnc(-c2cccc(Cl)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.65
CAMK2D Q13557 1/20 0.52
PIM1 P11309 1/20 0.51
MAP4K4 O95819 3/20 0.50
ALDH1A1 P00352 1/20 0.50
KMO O15229 2/20 0.49
HRH4 Q9H3N8 1/20 0.47
PLK1 P53350 1/20 0.47
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
NUDT1 P36639 1/20 0.45
CYP19A1 P11511 1/20 0.45
DHFR P00374 1/20 0.45
IDO1 P14902 1/20 0.45

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
SCHEMBL15947898 0.85 PIM1 (0.57) PIM1MAP4K4KMOHRH4PLK1
SCHEMBL4106824 0.84 ASIC3 (0.50) ASIC3CAMK2DPIM1MAP4K4ALDH1A1
Hydrochloric Acid SCHEMBL15659071 0.83 PIM1 (0.55) PIM1MAP4K4KMOHRH4PLK1
SCHEMBL2362701 0.80 ABCG2 (0.44) ASIC3CAMK2DMAP4K4KMOHRH4
SCHEMBL3788626 0.79 ASIC3 (1.00) ASIC3ALDH1A1
SCHEMBL29282119 0.79 KMO (0.53) PIM1MAP4K4KMOPLK1KDM1A
SCHEMBL30913194 0.79 KMO (0.53) PIM1MAP4K4KMOPLK1KDM1A
SCHEMBL1091767 0.79 CYP2A6 (0.57) PIM1KMOPLK1NUDT1CYP19A1
SCHEMBL30337333 0.76 ASIC3 (0.79) ASIC3MAP4K4ALDH1A1KMO
SCHEMBL23259181 0.76 ASIC3 (0.66) ASIC3MAP4K4KMO

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 ASIC3 1070/4885CAMK2D 2412/4885PIM1 171/4885

“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.