SCHEMBL3044252

SCHEMBL3044252

CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CN3CCC(Br)CC3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
NR1H2 P55055 10/20 0.35
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NR1H3 Q13133 3/20 0.34
ATR Q13535 2/20 0.33
ATRIP Q8WXE1 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
JAK3 P52333 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
SCHEMBL3038085 0.94 KDM4E (0.37) BRD4CREBBPNR1H2PARP1PARP2
SCHEMBL3037652 0.94 BRD4 (0.38) BRD4CREBBPNR1H2PARP1PARP2
SCHEMBL3043652 0.93 HSP90AA1 (0.37) BRD4CREBBPNR1H2PARP1PARP2
SCHEMBL3047029 0.92 NR1H2 (0.37) BRD4CREBBPNR1H2PARP1SMN1; SMN2
SCHEMBL3048885 0.92 GPR119 (0.37) BRD4CREBBPNR1H2PARP1PARP2
SCHEMBL3047413 0.92 NR1H2 (0.36) BRD4CREBBPNR1H2SMN1; SMN2NR1H3
SCHEMBL3042114 0.91 SMN1; SMN2 (0.39) BRD4CREBBPNR1H2PARP1PARP2
SCHEMBL3047734 0.91 VEGFA (0.40) NR1H2GPR119
SCHEMBL3044062 0.91 PARP1 (0.45) NR1H2PARP1PARP2SIGMAR1
SCHEMBL5048301 0.91 BRD4 (0.37) BRD4CREBBPNR1H2PARP1PARP2

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 BRD4 47/4885CREBBP 904/4885NR1H2 21/4885

“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.