SCHEMBL3044249

SCHEMBL3044249

CCc1cc(-c2cc3cc(CN4CCCCC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1Cl)CNC2=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.35
NR1H3 Q13133 3/20 0.34
TBK1 Q9UHD2 3/20 0.33
CXCR4 P61073 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
RORC P51449 2/20 0.33
VEGFA P15692 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PARP1 P09874 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
SCHEMBL3051382 0.92 NR1H2 (0.36) NR1H2NR1H3TBK1CXCR4BRD4
SCHEMBL3037479 0.92 NR1H2 (0.35) NR1H2NR1H3TBK1CXCR4BRD4
SCHEMBL3034089 0.92 NR1H2 (0.35) NR1H2NR1H3TBK1CXCR4BRD4
SCHEMBL3051443 0.91 TBK1 (0.36) NR1H2NR1H3TBK1CXCR4BRD4
SCHEMBL3840174 0.91 NR1H2 (0.37) NR1H2NR1H3TBK1CXCR4BRD4
SCHEMBL3037182 0.90 ACHE (0.37) NR1H2TBK1SMN1; SMN2
SCHEMBL3048979 0.90 NR1H2 (0.36) NR1H2NR1H3TBK1BRD4CREBBP
SCHEMBL5050607 0.89 NR1H2 (0.37) NR1H2NR1H3TBK1
SCHEMBL3051369 0.89 NR1H2 (0.39) NR1H2NR1H3BRD4CREBBP
SCHEMBL3046133 0.89 NR1H2 (0.34) NR1H2NR1H3TBK1CXCR4BRD4

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 25/4885TBK1 3936/4885

“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.