SCHEMBL3045794

SCHEMBL3045794

CC(C)(C)OC(=O)n1c(-c2ccc(CCCO)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.43
NR1H3 Q13133 3/20 0.34
KDR P35968 1/20 0.33
ATR Q13535 2/20 0.33
ATRIP Q8WXE1 2/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL3047244 0.93 NR1H2 (0.35) NR1H2NR1H3ATRATRIPBRD4
SCHEMBL3045149 0.93 NR1H2 (0.36) NR1H2NR1H3ATRATRIPBRD4
SCHEMBL3048979 0.92 NR1H2 (0.36) NR1H2NR1H3ATRATRIPBRD4
SCHEMBL3049701 0.89 NR1H2 (0.37) NR1H2NR1H3ATRATRIPBRD4
SCHEMBL3039052 0.88 NR1H2 (0.37) NR1H2NR1H3KDRATRATRIP
SCHEMBL3046959 0.87 NR1H2 (0.41) NR1H2NR1H3BRD4CREBBP
SCHEMBL3044637 0.87 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL3039181 0.87 NR1H2 (0.36) NR1H2NR1H3KDRBRD4CREBBP
SCHEMBL3047413 0.87 NR1H2 (0.36) NR1H2NR1H3ATRATRIPBRD4
SCHEMBL3048520 0.87 NR1H2 (0.38) NR1H2NR1H3ATRATRIPBRD4

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 NR1H2 21/4885NR1H3 25/4885KDR 3226/4885

“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.