SCHEMBL1666210

SCHEMBL1666210

CC1(C)CN=C(c2cnc3cccc(Cl)c3c2)c2cccc(Cl)c2O1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.33
MET P08581 1/20 0.31
CNR2 P34972 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
MAPK10 P53779 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL1666847 0.93 PTGER3 (0.36) PTPN11METCNR2USP2LMNA
SCHEMBL1948345 0.88 BRD4 (0.41) PTPN11CNR2CYP1A2CLK4PDGFRB
Hydrochloric Acid SCHEMBL1668982 0.87 BRD4 (0.40) PTPN11CNR2CYP1A2CLK4PDGFRB
SCHEMBL1666201 0.84 PTPN11 (0.35) PTPN11METCNR2PDGFRBPDGFRA
SCHEMBL1666329 0.84 PDGFRB (0.40) PTPN11CNR2PDGFRBPDGFRA
SCHEMBL1666193 0.83 PTPN11 (0.35) PTPN11CNR2
SCHEMBL1951044 0.83 PTPN11 (0.33) PTPN11CNR2PDGFRBPDGFRA
SCHEMBL1949031 0.82 CNR2 (0.31) PTPN11CNR2
Trifluoroacetic Acid SCHEMBL1668984 0.80 AKR1C3 (0.38) METCNR2CLK4
SCHEMBL1949002 0.80 PIK3CD (0.34) CNR2

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 PTPN11 422/4885MET 746/4885CNR2 1413/4885

“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.