SCHEMBL1666201

SCHEMBL1666201

CC1(C)CN=C(c2cnc3ccc(Cl)cc3c2)c2cccc(Cl)c2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.35
HTR7 P34969 3/20 0.33
HTR6 P50406 3/20 0.33
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31
MET P08581 2/20 0.31
DGAT1 O75907 2/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
CYP2C9 P11712 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
SCHEMBL1666329 0.92 PDGFRB (0.40) PTPN11CNR1CNR2BRD4CREBBP
SCHEMBL1666193 0.91 PTPN11 (0.35) PTPN11CNR2BRD4CREBBPADORA3
SCHEMBL1948345 0.89 BRD4 (0.41) PTPN11CNR1CNR2BRD4CREBBP
Hydrochloric Acid SCHEMBL1668982 0.88 BRD4 (0.40) PTPN11CNR1CNR2BRD4CREBBP
SCHEMBL1951044 0.84 PTPN11 (0.33) PTPN11CNR2BRD4CREBBPPDGFRB
SCHEMBL1949031 0.84 CNR2 (0.31) PTPN11CNR1CNR2KCNH2
SCHEMBL1666210 0.84 PTPN11 (0.33) PTPN11CNR2METPDGFRBPDGFRA
SCHEMBL1949002 0.81 PIK3CD (0.34) CNR2
SCHEMBL1666847 0.81 PTGER3 (0.36) PTPN11CNR2METCYP2C9
Trifluoroacetic Acid SCHEMBL1668984 0.81 AKR1C3 (0.38) CNR1CNR2BRD4CREBBPMET

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 422/4885HTR7 3092/4885HTR6 3454/4885

“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.