SCHEMBL5792276

SCHEMBL5792276

Cc1cc(Br)c2nc(-c3cccc(C)n3)c(-c3ccnc(N)n3)n2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.46
CDK2 P24941 2/20 0.41
CDK4 P11802 1/20 0.41
CSNK1E P49674 3/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK9 P50750 1/20 0.38
HASPIN Q8TF76 1/20 0.38
TGFBR1 P36897 3/20 0.37
KDR P35968 1/20 0.37
CLK1 P49759 2/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
HTR6 P50406 1/20 0.35

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
SCHEMBL412692 0.89 AKT1 (0.38) MAP3K14AKT1AKT2TGFBR1KDR
SCHEMBL5202563 0.84 AKT1 (0.38) AKT1AKT2TGFBR1KDRHTR6
SCHEMBL5794919 0.84 HTR6 (0.39) AKT1AKT2TGFBR1KDRHTR6
SCHEMBL411283 0.81 MAP3K14 (0.41) MAP3K14CDK2CDK4CSNK1EPIK3CD
SCHEMBL414090 0.80 MAP3K14 (0.70) MAP3K14CDK2CDK4CSNK1EPIK3CD
SCHEMBL411742 0.78 MAP3K14 (0.54) MAP3K14CDK2CDK4CSNK1EPIK3CD
SCHEMBL415270 0.78 GSK3B (0.41) MAP3K14CDK2CDK4CSNK1EPIK3CD
SCHEMBL409784 0.78 CDK2 (0.50) MAP3K14CDK2CDK4CSNK1EPIK3CD
SCHEMBL413556 0.78 CDK2 (0.50) MAP3K14CDK2CDK4CSNK1EPIK3CD
SCHEMBL413262 0.77 GSK3A (0.44) MAP3K14CDK2CDK4CSNK1EPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135517-A1 Imidazolopyridines and methods of making and using the same BIOGEN IDEC MA INC. 2006-06-22 US disclosed
EP-1546112-A4 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-06-07 EP disclosed
EP-1546112-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-06-29 EP disclosed
WO-2004021989-A2 IMIDAZOLOPYRIDINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-03-18 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-20060135517-A1 Imidazolopyridines and methods of making and using the same ALK, ACVR1, ACVRL1 MAP3K14 555/4885CDK2 515/4885CDK4 116/4885

“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.