SCHEMBL13006154

SCHEMBL13006154

c1cc2[nH]ncc2c(NCCn2cncn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SLC29A1 Q99808 1/20 0.38
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
PIK3CA P42336 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
DRD1 P21728 1/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TDO2 P48775 1/20 0.32

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
SCHEMBL3775101 0.76 TLR8 (0.38) ALDH1A1SMN1; SMN2MAPTEGLN3CASP1
SCHEMBL17389142 0.74 CHEK1 (0.45) ALDH1A1SLC29A1CYP1A2LMNAPOLB
SCHEMBL17433048 0.74 ALDH1A1 (0.59) ALDH1A1SLC29A1CYP1A2LMNAPOLB
SCHEMBL30559809 0.68 AXL (0.44) ALDH1A1SLC29A1CYP1A2LMNAPOLB
SCHEMBL23609029 0.66 KDM4E (0.46) ALDH1A1SMN1; SMN2POLBHPGDKMT2A
SCHEMBL28701478 0.66 MAPT (0.50) SLC29A1CYP1A2SMN1; SMN2LMNAPOLB
SCHEMBL29366544 0.66 MAPT (0.50) SLC29A1CYP1A2SMN1; SMN2LMNAPOLB
SCHEMBL23609238 0.64 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL29829135 0.64 POLB (0.68) ALDH1A1CYP1A2SMN1; SMN2LMNAPOLB
SCHEMBL17017090 0.64 POLB (0.68) ALDH1A1CYP1A2SMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 ALDH1A1 2975/4885SLC29A1 2127/4885CYP1A2 608/4885

“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.