SCHEMBL2502785

SCHEMBL2502785

Cc1c(-c2cnc3ccc(Br)cn23)sc(C(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
MAP3K14 Q99558 1/20 0.40
GPR35 Q9HC97 2/20 0.34
FLT3 P36888 2/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
MKNK1 Q9BUB5 4/20 0.33
MKNK2 Q9HBH9 4/20 0.33
ADORA2A P29274 1/20 0.33
GAA P10253 1/20 0.32
PSD A5PKW4 1/20 0.32
ATM Q13315 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL2495143 0.85 FYN (0.40) FYN
SCHEMBL2495474 0.82 MIF (0.43) PIK3CAFLT3
SCHEMBL2500598 0.80 FLT3 (0.33) FLT3MKNK1MKNK2
SCHEMBL2530343 0.77 DDR1 (0.35) GPR35FYN
SCHEMBL2500397 0.75 TBXAS1 (0.30)
SCHEMBL2496366 0.73 FYN (0.31) MKNK1MKNK2FYN
SCHEMBL3847512 0.71 MKNK1 (0.51) PIK3CAMTORMAP3K14MKNK1MKNK2
SCHEMBL2504629 0.71 DGAT1 (0.34)
SCHEMBL2502787 0.69 PIK3CA (0.46) PIK3CAMTORMAP3K14FLT3MKNK1
SCHEMBL1649588 0.69 TGFBR1 (0.47) PIK3CAMTORMAP3K14ADORA2A

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
EP-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
US-8030327-B2 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle MDS K.K. (JP) 2011-10-04 US disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP 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-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 PIK3CA 3039/4885MTOR 3037/4885MAP3K14 3811/4885

“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.