SCHEMBL3048873

SCHEMBL3048873

CC(C)(C)OC(=O)n1ccc2cc(CN3CCC(CO)CC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
HCK P08631 2/20 0.41
SRC P12931 2/20 0.41
KDR P35968 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
EPHB4 P54760 2/20 0.41
PRKDC P78527 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.39
ROCK2 O75116 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
FAAH O00519 1/20 0.38
HTR6 P50406 7/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL3044861 0.86 PIK3CD (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL3047095 0.86 PIK3CD (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL3043656 0.85 PKM (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL3039591 0.85 VEGFA (0.48) ROCK2FAAHCHRM1CHRNA7
SCHEMBL3043940 0.81 FAAH (0.38) PIK3CDABL1EGFRHCKSRC
SCHEMBL1057433 0.79 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL29658586 0.79 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL3043931 0.77 FAAH (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL1056456 0.77 NR1H2 (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL12043978 0.77 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC

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 4 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
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 PIK3CD 4159/4885ABL1 325/4885EGFR 1790/4885

“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.