SCHEMBL10323744

SCHEMBL10323744

CC(C)N1CCN=C(c2cnc3ccccc3c2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.44
PDGFRB P09619 3/20 0.38
PDGFRA P16234 3/20 0.38
SRC P12931 3/20 0.38
ABL1 P00519 2/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
EGFR P00533 1/20 0.38
HCK P08631 1/20 0.38
KDR P35968 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
EPHB4 P54760 1/20 0.38
PRKDC P78527 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
HTR3A P46098 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10324650 0.81 MAP4K4 (0.44) NISCHPDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL10324708 0.73 GABRA1 (0.64) AKR1C3AKR1C2
SCHEMBL23241865 0.72 NISCH (0.49) NISCHPDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL10323743 0.70 NISCH (0.44) NISCHPDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL30084730 0.69 NISCH (0.46) NISCHPDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL1948019 0.69 NISCH (0.46) NISCHPDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL1532935 0.69 NISCH (0.63) NISCHPDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL29039044 0.67 NR2F2 (0.44) NISCHPDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL30414716 0.67 NR2F2 (0.44) NISCHPDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL1949218 0.67 NISCH (0.38) NISCHPDGFRBPDGFRASRCABL1

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-2484672-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND HERBICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO (JP) 2015-07-15 EP disclosed
US-9062024-B2 Nitrogen-containing heterocyclic compound and salt thereof, and a fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
US-20120184732-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND A FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD. 2012-07-19 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-20120184732-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND A FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CYP51A1, NOS1, NPR1 NISCH 32/4885PDGFRB 4685/4885PDGFRA 4693/4885

“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.