SCHEMBL1948091

SCHEMBL1948091

CC1(C)CN=C(c2cnc3c(Cl)cccc3c2)c2ccccc2O1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CNR2 P34972 3/20 0.32
CNR1 P21554 1/20 0.32
BACE1 P56817 2/20 0.31
KCNH2 Q12809 2/20 0.31
PTPN11 Q06124 3/20 0.31

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
SCHEMBL1949031 0.88 CNR2 (0.31) KDM4ECNR2CNR1KCNH2PTPN11
SCHEMBL1666323 0.87 ABCB1 (0.37) KDM4EBACE1KCNH2
SCHEMBL1950449 0.83 NISCH (0.40) PIK3CD
SCHEMBL1949002 0.81 PIK3CD (0.34) PIK3CDCNR2
SCHEMBL1948784 0.80 ABCB1 (0.36) BACE1KCNH2PTPN11
SCHEMBL1948345 0.78 BRD4 (0.41) PIK3CDCNR2CNR1PTPN11
Hydrochloric Acid SCHEMBL1668982 0.77 BRD4 (0.40) PIK3CDCNR2CNR1PTPN11
SCHEMBL1666570 0.76 CNR1 (0.38) CNR2CNR1BACE1
SCHEMBL1949027 0.75 ABCB1 (0.37) KDM4EBACE1KCNH2
SCHEMBL1666915 0.75 ABCB1 (0.35) KDM4E

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 PIK3CD 1720/4885KDM4E 1580/4885CNR2 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.