SCHEMBL10172808

SCHEMBL10172808

[C-]#[N+]c1cc(Cn2cncn2)ccc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.64
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
STS P08842 2/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL10172727 0.91 CYP19A1 (0.62) CYP19A1HTTSMN1; SMN2STSHDAC1
SCHEMBL10172813 0.88 CYP19A1 (0.65) CYP19A1STSHDAC1HDAC6
SCHEMBL10172824 0.80 CYP19A1 (0.69) CYP19A1STS
SCHEMBL10172576 0.80 CYP19A1 (0.63) CYP19A1STSHDAC1HDAC6
SCHEMBL10172822 0.78 CYP19A1 (0.46) CYP19A1STS
SCHEMBL10172757 0.78 CYP19A1 (1.00) CYP19A1STS
SCHEMBL7674570 0.77 CYP19A1 (0.79) CYP19A1SMN1; SMN2STSHDAC1HDAC6
SCHEMBL10172554 0.76 CYP19A1 (1.00) CYP19A1STSHDAC1HDAC6
SCHEMBL306242 0.75 CYP19A1 (1.00) CYP19A1STS
SCHEMBL14496275 0.75 CYP19A1 (0.77) CYP19A1STS

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-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 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-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 CYP19A1 605/4885HTT 2984/4885SMN1; SMN2 3617/4885

“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.