SCHEMBL1948019

SCHEMBL1948019

c1ccc2c(c1)OCCN=C2c1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.46
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
CYP2A6 P11509 1/20 0.40
PIK3CA P42336 3/20 0.40
BIRC5 O15392 1/20 0.40
PIK3CD O00329 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
BRD4 O60885 2/20 0.37
CREBBP Q92793 2/20 0.37
TDP2 O95551 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSNK1G2 P78368 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL30084730 1.00 NISCH (0.46) NISCHPDGFRBPDGFRACYP2A6PIK3CA
SCHEMBL1666559 0.82 NISCH (0.41) NISCHPDGFRBPDGFRACYP2A6PIK3CA
SCHEMBL1668895 0.77 PDGFRB (0.40) NISCHPDGFRBPDGFRACYP2A6PIK3CA
SCHEMBL23241865 0.77 NISCH (0.49) NISCHPDGFRBPDGFRACYP2A6PIK3CA
SCHEMBL1948810 0.76 NR2F2 (0.41) NISCHPDGFRBPDGFRACYP2A6PIK3CA
SCHEMBL1950449 0.76 NISCH (0.40) NISCHPDGFRBPDGFRACYP2A6PIK3CA
SCHEMBL1666334 0.76 NISCH (0.40) NISCHPDGFRBPDGFRACYP2A6PIK3CA
SCHEMBL1949982 0.75 NISCH (0.40) NISCHPDGFRBPDGFRACYP2A6PIK3CA
SCHEMBL1532935 0.74 NISCH (0.63) NISCHPDGFRBPDGFRACYP2A6PIK3CA
SCHEMBL1949218 0.73 NISCH (0.38) NISCHPDGFRBPDGFRACYP2A6PIK3CA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020043650-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL/ACARICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-05 WO claimed
WO-2018109002-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-21 WO claimed
WO-2019183454-A1 AQUEOUS NEMATICIDAL COMPOSITIONS CONTAINING DISPERSANTS TO INHIBIT CRYSTAL GROWTH MONSANTO TECHNOLOGY LLC (US) 2019-09-26 WO disclosed
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
WO-2010018686-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT 日本曹達株式会社 (JP) 2010-02-18 WO 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 NISCH 170/4885PDGFRB 3925/4885PDGFRA 4146/4885

“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.