SCHEMBL1949031

SCHEMBL1949031

CC1(C)CN=C(c2cnc3c(Cl)cccc3c2)c2cccc(Cl)c2O1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.31
PTPN11 Q06124 3/20 0.31
CNR1 P21554 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KCNH2 Q12809 1/20 0.30
ABL1 P00519 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
SCHEMBL1949002 0.93 PIK3CD (0.34) CNR2ABL1
SCHEMBL1948784 0.92 ABCB1 (0.36) PTPN11KCNH2
SCHEMBL1948091 0.88 PIK3CD (0.32) CNR2PTPN11CNR1KDM4EKCNH2
SCHEMBL1948345 0.88 BRD4 (0.41) CNR2PTPN11CNR1
Hydrochloric Acid SCHEMBL1668982 0.87 BRD4 (0.40) CNR2PTPN11CNR1
SCHEMBL1666775 0.86 GRIN2B (0.32) PTPN11ABL1
SCHEMBL1666201 0.84 PTPN11 (0.35) CNR2PTPN11CNR1KCNH2
SCHEMBL1666329 0.84 PDGFRB (0.40) CNR2PTPN11CNR1ABL1
SCHEMBL1949213 0.83 ABCG2 (0.48)
SCHEMBL1666193 0.83 PTPN11 (0.35) CNR2PTPN11ABL1

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
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

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 CNR2 1413/4885PTPN11 422/4885CNR1 895/4885

“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.