SCHEMBL712180

SCHEMBL712180

Nc1cc(-c2cnc(N)c(N)c2)cnc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
USP7 Q93009 2/20 0.43
MAP4K4 O95819 5/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
VRK1 Q99986 1/20 0.41
AURKA O14965 1/20 0.39
TTK P33981 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
FYN P06241 1/20 0.38
CYP1A2 P05177 1/20 0.38
KCNH2 Q12809 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
TNIK Q9UKE5 1/20 0.38

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
SCHEMBL709795 0.86 MAPT (0.59) USP7MAP4K4MAPTCASP1KMT2A
SCHEMBL2976390 0.82 MAP4K4 (0.62) PIK3CDUSP7MAP4K4CYP1A2KCNH2
SCHEMBL1582343 0.82 MAP4K4 (0.54) PIK3CDUSP7MAP4K4MAPTCASP1
Dimethylamine SCHEMBL2972047 0.79 MAPT (0.57) USP7MAP4K4MAPTCASP1KMT2A
SCHEMBL712179 0.79 FYN (0.58) MAPTCASP1AURKATTKAURKB
SCHEMBL30467854 0.77
SCHEMBL1369071 0.77
SCHEMBL11168501 0.75 CHEK2 (0.55) PIK3CDMAPTHTTCYP1A2TDP1
Hydrochloric Acid SCHEMBL9127484 0.74 HTT (0.37) MAP4K4KMT2AHTTNOS3NOS1
Hydrochloric Acid SCHEMBL11717876 0.74 HTT (0.37) MAP4K4KMT2AHTTNOS3NOS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK PIK3CD 438/4885USP7 3241/4885MAP4K4 68/4885

“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.