SCHEMBL1283570

SCHEMBL1283570

[CH2]CCOc1ccc2nc(-c3ccccc3OCc3ccccc3)n(CCCC)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 3/20 0.43
TLR4 O00206 1/20 0.41
TLR3 O15455 1/20 0.41
TLR5 O60602 1/20 0.41
TLR2 O60603 1/20 0.41
CAMK2B Q13554 1/20 0.41
CAMK2G Q13555 1/20 0.41
CAMK2D Q13557 1/20 0.41
CAMK1 Q14012 1/20 0.41
CAMK4 Q16566 1/20 0.41
PNCK Q6P2M8 1/20 0.41
CAMK1D Q8IU85 1/20 0.41
CAMK1G Q96NX5 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
PLK1 P53350 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
PLK2 Q9NYY3 1/20 0.40

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
SCHEMBL1283534 0.88 DRD3 (0.53) ACSS2TLR4TLR3TLR5TLR2
SCHEMBL1283276 0.87 DRD2 (0.50) ACSS2MAPTDRD2DRD3TP53
SCHEMBL1283484 0.85 TP53 (0.47) ACSS2TLR7PLK1PLK3PLK2
SCHEMBL1282989 0.80 PIN1 (0.55) MAPTDRD2DRD3TP53LMNA
SCHEMBL1283532 0.77 TP53 (0.48) ACSS2MAPTDRD2DRD3TP53
SCHEMBL1283440 0.77 DRD3 (0.46) MAPTDRD2DRD3HRH3
SCHEMBL1615416 0.76 DRD3 (0.58) ACSS2DRD2DRD3TP53HRH3
SCHEMBL1283543 0.75 DRD3 (0.68) ACSS2DRD2DRD3HRH3
SCHEMBL1283554 0.75 PIN1 (0.53) ACSS2MAPTDRD2DRD3TP53
SCHEMBL1283760 0.75 DRD3 (0.59) ACSS2DRD2DRD3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 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 (4 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ACSS2 2824/4885TLR4 105/4885TLR3 485/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ACSS2 2898/4885TLR4 80/4885TLR3 393/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B ACSS2 2898/4885TLR4 80/4885TLR3 393/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ACSS2 2898/4885TLR4 80/4885TLR3 393/4885

“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.