SCHEMBL5464451

SCHEMBL5464451

O=C(c1ccc(Cl)c(-n2c(=O)[nH]c3ccccc3c2=O)c1)N1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HSP90AA1 P07900 1/20 0.53
LMNA P02545 3/20 0.51
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 4/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CRBN Q96SW2 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
SLC22A12 Q96S37 2/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL5461017 0.94 KMT2A (0.54) ALDH1A1SMN1; SMN2HSP90AA1LMNAMEN1
SCHEMBL5476312 0.90 BRD4 (0.47) ALDH1A1SMN1; SMN2HSP90AA1LMNARAB9A
SCHEMBL5470732 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HSP90AA1LMNAMEN1
SCHEMBL5472401 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5474144 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HSP90AA1LMNAMEN1
SCHEMBL5474801 0.84 POLB (0.53) ALDH1A1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL5470333 0.83 PDK1 (0.54) MEN1KMT2AHTTTSHRKDM4E
SCHEMBL5475183 0.83 CRBN (0.50) ALDH1A1SMN1; SMN2HSP90AA1LMNAMEN1
SCHEMBL5467122 0.82 TSHR (0.56) ALDH1A1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL5467200 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNARAB9AMEN1

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-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 ALDH1A1 1875/4885SMN1; SMN2 2437/4885HSP90AA1 2075/4885

“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.