SCHEMBL3048742

SCHEMBL3048742

CC(C)(C)OC(=O)n1c(-c2ccc(N)c3c2C(=O)NC3=O)cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.53
BRD4 O60885 1/20 0.52
CREBBP Q92793 1/20 0.52
NR1H3 Q13133 3/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL3046139 0.85 NR1H2 (0.42) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL5049637 0.81 MEN1 (0.43) NR1H2BRD4CREBBP
SCHEMBL3034503 0.81 MEN1 (0.43) NR1H2BRD4CREBBP
SCHEMBL3040123 0.79 NR1H2 (0.40) NR1H2BRD4CREBBPNR1H3
SCHEMBL3038178 0.78 GSK3B (0.41) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL27755761 0.78 NR1H2 (0.57) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL3046855 0.78 NR1H2 (0.39) NR1H2BRD4CREBBPNR1H3
SCHEMBL4101333 0.78 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL5330620 0.77 BRD4 (0.55) NR1H2BRD4CREBBPNR1H3CA12
SCHEMBL3034386 0.77 BRD4 (0.51) NR1H2BRD4CREBBPNR1H3CA12

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 21/4885BRD4 47/4885CREBBP 904/4885

“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.