SCHEMBL6220902

SCHEMBL6220902

C/C(=N/N)c1cnc2ccc(Br)cn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.43
ADORA2A P29274 1/20 0.41
PIK3CA P42336 2/20 0.41
MTOR P42345 1/20 0.41
CLK1 P49759 2/20 0.35
TGFBR1 P36897 6/20 0.34
NOS1 P29475 1/20 0.34
PIK3CG P48736 1/20 0.34
GAA P10253 1/20 0.34
FLT3 P36888 2/20 0.34
PIK3CD O00329 1/20 0.34
DYRK3 O43781 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK2 P24941 1/20 0.34
PIK3CB P42338 1/20 0.34
CSNK1E P49674 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
GSK3B P49841 1/20 0.34
CDK7 P50613 1/20 0.34

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
SCHEMBL6220907 1.00 MAP3K14 (0.43) MAP3K14ADORA2APIK3CAMTORCLK1
SCHEMBL1614377 0.82 ADORA2A (0.47) MAP3K14ADORA2APIK3CAMTORCLK1
SCHEMBL3770639 0.79 MAP3K14 (0.43) MAP3K14ADORA2APIK3CAMTORTGFBR1
SCHEMBL21084989 0.79 TGFBR1 (0.51) TGFBR1
SCHEMBL1649588 0.77 TGFBR1 (0.47) MAP3K14ADORA2APIK3CAMTORCLK1
SCHEMBL3770636 0.77 ADORA2A (0.43) MAP3K14ADORA2APIK3CAMTORCLK1
SCHEMBL12850103 0.75 ADORA2A (0.45) MAP3K14ADORA2APIK3CAMTORCLK1
SCHEMBL15639434 0.75 PIK3CA (0.45) MAP3K14ADORA2APIK3CAMTORCLK1
SCHEMBL3845576 0.75 ADORA2A (0.45) MAP3K14ADORA2ACLK1TGFBR1GAA
SCHEMBL26979552 0.75 CLK1 (0.60) ADORA2APIK3CAMTORCLK1TGFBR1

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-1277754-B1 IMIDAZOPYRIDINE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-07-27 EP disclosed
US-6653320-B2 Imidazopyridine derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-11-25 US disclosed
EP-1277754-A1 IMIDAZOPYRIDINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-01-22 EP disclosed
US-20020151549-A1 Such as 3-(6-bromo-2-methylimidazo(1,2-a)pyridin-3-yl)-1H-pyrazol-1-yl 2-methyl-5-nitrophenyl sulfone; useful as phosphatidylinositol-3-kinase (PI3K) inhibitors and antitumor agents ASTELLAS PHARMA INC. (JP) 2002-10-17 US disclosed
US-6403588-B1 PHOSPHATIDYLINOSITOL 3 KINASE (PI3K) INHIBITING ACTIVITY WHICH ARE USEFUL AS MEDICAMENTS, MORE PARTICULARLY AS ANTITUMOR AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-11 US 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-20020151549-A1 Such as 3-(6-bromo-2-methylimidazo(1,2-a)pyridin-3-yl)-1H-pyrazol-1-yl 2-methyl-5-nitrophenyl sulfone; useful as phosphatidylinositol-3-kinase (PI3K) inhibitors and antitumor agents MTMR1, PIK3CA, PIK3CD MAP3K14 105/4885ADORA2A 2338/4885PIK3CA 2/4885

“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.