SCHEMBL3046855

SCHEMBL3046855

CC(C)(C)OC(=O)n1c(-c2ccc(N)c3c2C(=O)NC3=O)cc2cc(CN3CCN(CCO)CC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.39
PKM P14618 1/20 0.37
NR1H3 Q13133 3/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
RORC P51449 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IDO2 Q6ZQW0 1/20 0.34
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33

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
SCHEMBL3040123 0.90 NR1H2 (0.40) NR1H2NR1H3BRD4CREBBPRORC
SCHEMBL3043824 0.84 NR1H2 (0.38) NR1H2PKMNR1H3BRD4CREBBP
SCHEMBL3144005 0.83 NR1H2 (0.38) NR1H2PKMNR1H3BRD4CREBBP
SCHEMBL3166857 0.83 NR1H2 (0.37) NR1H2PKMNR1H3BRD4CREBBP
SCHEMBL3054418 0.83 NR1H2 (0.37) NR1H2PKMNR1H3BRD4CREBBP
SCHEMBL3153122 0.81 NR1H2 (0.35) NR1H2PKMNR1H3BRD4CREBBP
SCHEMBL3048520 0.80 NR1H2 (0.38) NR1H2NR1H3BRD4CREBBPATR
SCHEMBL3042659 0.79 NR1H2 (0.36) NR1H2PKMNR1H3BRD4CREBBP
SCHEMBL3151702 0.79 NR1H2 (0.37) NR1H2PKMNR1H3BRD4CREBBP
SCHEMBL3137975 0.79 NR1H2 (0.37) NR1H2PKMNR1H3BRD4CREBBP

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 21/4885PKM 2860/4885NR1H3 25/4885

“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.