SCHEMBL1949002

SCHEMBL1949002

Cc1cccc2cc(C3=NCC(C)(C)Oc4c(Cl)cccc43)cnc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.34
ALKBH5 Q6P6C2 1/20 0.32
FTO Q9C0B1 1/20 0.32
CNR2 P34972 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
GRIN2B Q13224 1/20 0.31
ABL1 P00519 2/20 0.31
PTAFR P25105 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL1949031 0.93 CNR2 (0.31) CNR2ABL1
SCHEMBL1948784 0.89 ABCB1 (0.36) GRIN2BABCG2
SCHEMBL1948345 0.85 BRD4 (0.41) PIK3CDCNR2
Hydrochloric Acid SCHEMBL1668982 0.84 BRD4 (0.40) PIK3CDCNR2
SCHEMBL1666775 0.84 GRIN2B (0.32) GRIN2BABL1
SCHEMBL1666344 0.83 ABCB1 (0.36) GRIN2BABL1ABCG2
SCHEMBL1666847 0.83 PTGER3 (0.36) CNR2PTAFR
SCHEMBL1951044 0.82 PTPN11 (0.33) CNR2ABL1
SCHEMBL1666193 0.82 PTPN11 (0.35) CNR2ABL1
SCHEMBL1951241 0.82 ABCB1 (0.38) CNR2ABCG2

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 1720/4885ALKBH5 802/4885FTO 1058/4885

“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.