SCHEMBL4059633

SCHEMBL4059633

Fc1ccc(Cc2nc3ncc(-c4ccco4)cc3[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 2/20 0.38
FLT3 P36888 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL4054880 0.90 NOS3 (0.42) HPGDNPSR1POLBFLT3CTDSP1
SCHEMBL4055088 0.90 PRNP (0.42) HPGDPOLBFLT3MAPTKDM4E
SCHEMBL4054333 0.90 GAA (0.43) HPGDTDP1MAPTHSD17B10ALDH1A1
SCHEMBL4061234 0.89 NOS3 (0.45) TDP1MAPTKDM4ETSHRNOS3
SCHEMBL4060932 0.89 MAPT (0.42) HPGDPOLBMAPTHSD17B10ALDH1A1
SCHEMBL4060685 0.88 KIT (0.42) CACNA1GCACNA1HTSHRNOS3NOS1
SCHEMBL4058304 0.87 ADORA2A (0.40) FLT3NOS3NOS1NOS2EGFR
SCHEMBL4062213 0.86 ADORA2A (0.40) POLBMAPTNOS3NOS1NOS2
SCHEMBL4051072 0.86 NOS3 (0.37) HPGDNPSR1MAPTHSD17B10ALDH1A1
SCHEMBL4057348 0.86 NOS3 (0.48) HPGDNPSR1POLBTDP1MAPT

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 HPGD 3915/4885NPSR1 2788/4885POLB 783/4885

“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.