SCHEMBL3039655

SCHEMBL3039655

COCCNCc1ccc2c(c1)cc(-c1ccc(Cl)c3c1C(=O)NC3)n2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
NR1H2 P55055 16/20 0.37
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
NR1H3 Q13133 3/20 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
SCHEMBL3050351 0.92 NR1H2 (0.38) NR1H2BRD4CREBBPNR1H3
SCHEMBL3039801 0.92 NR1H2 (0.36) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL3047132 0.92 NR1H2 (0.37) NR1H2BRD4CREBBPNR1H3
SCHEMBL3044097 0.91 NR1H2 (0.41) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3050173 0.91 NR1H2 (0.37) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3046137 0.90 PDCD1 (0.39) NR1H2BRD4CREBBPNR1H3
SCHEMBL3053057 0.90 NR1H2 (0.35) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3046659 0.90 NR1H2 (0.44) NR1H2BRD4CREBBPNR1H3
SCHEMBL3043856 0.89 NR1H2 (0.38) NR1H2BRD4CREBBPNR1H3ATR
SCHEMBL3047044 0.89 NR1H2 (0.40) NR1H2BRD4CREBBPNR1H3ATR

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
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US 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 PRKCB 4444/4885PRKCA 4487/4885PRKCH 4225/4885

“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.