SCHEMBL1668895

SCHEMBL1668895

O=C1COc2ccccc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
TDP2 O95551 1/20 0.40
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
CYP2A6 P11509 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
BIRC5 O15392 1/20 0.38
PIK3CA P42336 2/20 0.37
NR2F2 P24468 1/20 0.37
PIK3CD O00329 1/20 0.37
MAP4K4 O95819 2/20 0.37

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
SCHEMBL1666791 0.79 HDAC3 (0.46) PDGFRBPDGFRATDP2BRD4CREBBP
SCHEMBL1948019 0.77 NISCH (0.46) PDGFRBPDGFRATDP2BRD4CREBBP
SCHEMBL30084730 0.77 NISCH (0.46) PDGFRBPDGFRATDP2BRD4CREBBP
SCHEMBL17321632 0.75 PDGFRB (0.51) PDGFRBPDGFRATDP2TOP2ATOP2B
SCHEMBL1948810 0.74 NR2F2 (0.41) PDGFRBPDGFRATDP2BRD4CREBBP
SCHEMBL17321604 0.71 PDGFRB (0.50) PDGFRBPDGFRATDP2TOP2ATOP2B
SCHEMBL2872223 0.70 PDGFRB (0.40) PDGFRBPDGFRATDP2BRD4CREBBP
SCHEMBL1666334 0.69 NISCH (0.40) PDGFRBPDGFRATDP2BRD4CREBBP
SCHEMBL1950449 0.69 NISCH (0.40) PDGFRBPDGFRATDP2BRD4CREBBP
SCHEMBL4300871 0.69 BACE1 (0.41) PDGFRBPDGFRATDP2BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314583-B1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT NIPPON SODA CO (JP) 2015-02-25 EP disclosed
US-8557738-B2 Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2013-10-15 US disclosed
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD (JP) 2011-06-09 US disclosed
EP-2314583-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT Nippon Soda Co., Ltd. (JP) 2011-04-27 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-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 PDGFRB 3925/4885PDGFRA 4146/4885TDP2 3900/4885

“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.