SCHEMBL4051491

SCHEMBL4051491

COc1ccc(Cc2nc3ncc(/C=C/c4ccccc4)cc3[nH]2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
CA2 P00918 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
DHFR P00374 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL4051495 1.00 POLB (0.58) POLBPDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL4053584 0.84 POLB (0.60) POLBPDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL13608283 0.83 POLB (0.58) POLBPDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL4061764 0.81 POLB (0.57) POLBKDM4EALDH1A1HPGDCYP1A2
SCHEMBL4051456 0.78 POLB (0.55) POLBPDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL4056469 0.77 NOS3 (0.54) POLBPDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL4053324 0.77 POLB (0.53) POLBPDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL4054350 0.76 POLB (0.52) POLBKDM4EALDH1A1HPGDCYP1A2
SCHEMBL4052535 0.76 POLB (0.52) POLBPDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL4058789 0.75 POLB (0.51) POLBKDM4EALDH1A1HPGDMAPT

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
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B POLB 783/4885PDGFRB 134/4885PDGFRA 491/4885

“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.