SCHEMBL570398

SCHEMBL570398

c1ccc(COc2ccc(-c3n[nH]c4nccnc34)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.48
F2 P00734 1/20 0.46
TTK P33981 1/20 0.45
GSTP1 P09211 1/20 0.44
NTRK1 P04629 1/20 0.44
PRMT5 O14744 5/20 0.44
BCHE P06276 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL15064621 0.83 PRMT5 (0.55) IKBKETTKGSTP1NTRK1PRMT5
SCHEMBL19149769 0.76 NTRK1 (0.53) IKBKEF2TTKGSTP1NTRK1
SCHEMBL20793881 0.75 PIK3CD (0.60) IKBKEPRMT5RAB9ASMN1; SMN2GAA
SCHEMBL5386440 0.75 TTK (0.72) TTKNTRK1MAPK1GAAMAPT
SCHEMBL570187 0.74 TRPA1 (0.51) IKBKETTKGSTP1NTRK1PRMT5
SCHEMBL1663830 0.73 TTK (0.64) IKBKETTKNTRK1PRMT5RAB9A
SCHEMBL2494345 0.72 AS3MT (0.54) IKBKEGSTP1PRMT5LMNARAB9A
SCHEMBL197017 0.72 LMNA (0.72) GSTP1BCHELMNACYP1A2PTGS1
SCHEMBL23645939 0.71 IKBKE (0.46) IKBKEGSTP1NTRK1LMNACYP1A2
SCHEMBL1758642 0.70 F2 (0.52) IKBKEF2GSTP1PRMT5LMNA

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
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A IKBKE 1746/4885F2 3977/4885TTK 3209/4885

“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.