SCHEMBL3046607

SCHEMBL3046607

CN(C)Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
PIK3CD O00329 2/20 0.42
ABL1 P00519 2/20 0.42
EGFR P00533 2/20 0.42
HCK P08631 2/20 0.42
SRC P12931 2/20 0.42
KDR P35968 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 0.42
EPHB4 P54760 2/20 0.42
PRKDC P78527 2/20 0.42
PI4KB Q9UBF8 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
NR1H2 P55055 8/20 0.40
PARP1 P09874 2/20 0.39
NR1H3 Q13133 3/20 0.38
OXER1 Q8TDS5 1/20 0.37
BUB1 O43683 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
SCHEMBL3834470 0.88 PIK3CD (0.41) HTR6PIK3CDABL1EGFRHCK
SCHEMBL29433057 0.87 PIK3CD (0.44) HTR6PIK3CDABL1EGFRHCK
SCHEMBL13167710 0.87 PIK3CD (0.44) HTR6PIK3CDABL1EGFRHCK
SCHEMBL3033379 0.85 HTR6 (0.48) HTR6PIK3CDABL1EGFRHCK
SCHEMBL29658586 0.85 PIK3CD (0.44) HTR6PIK3CDABL1EGFRHCK
SCHEMBL1057433 0.85 PIK3CD (0.44) HTR6PIK3CDABL1EGFRHCK
SCHEMBL12043978 0.85 PIK3CD (0.44) HTR6PIK3CDABL1EGFRHCK
SCHEMBL16756072 0.84 NR1H2 (0.52) HTR6PIK3CDABL1EGFRHCK
SCHEMBL1058348 0.84 PIK3CD (0.44) HTR6PIK3CDABL1EGFRHCK
SCHEMBL10819613 0.84 PIK3CD (0.44) HTR6PIK3CDABL1EGFRHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
CN-101163675-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO KK (JP) 2008-04-16 CN disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 HTR6 360/4885PIK3CD 4159/4885ABL1 325/4885

“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.