SCHEMBL3050277

SCHEMBL3050277

CN(C)CCOc1ccc(-c2cc3cc(CN4CCCCC4)ccc3n2C(=O)OC(C)(C)C)c2c1CNC2=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
NR1H2 P55055 7/20 0.33
NR1H3 Q13133 3/20 0.32
ATR Q13535 2/20 0.32
ATRIP Q8WXE1 2/20 0.32
CCR3 P51677 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
EED O75530 1/20 0.31

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
SCHEMBL3045879 0.96 HRH3 (0.38) HRH3NR1H2NR1H3ATRATRIP
SCHEMBL3039603 0.90 NR1H2 (0.33) NR1H2NR1H3ATRATRIPBRD4
SCHEMBL3047269 0.89 MEN1 (0.37) NR1H2NR1H3ATRATRIPTBK1
SCHEMBL5048352 0.89 PARP1 (0.34) NR1H2ATRTBK1
SCHEMBL3052336 0.89 HRH3 (0.39) HRH3ATRATRIP
SCHEMBL3044271 0.89 NR1H2 (0.34) NR1H2NR1H3BRD4CREBBPTBK1
SCHEMBL3037188 0.88 PARP1 (0.36) HRH3NR1H2TBK1
SCHEMBL3048293 0.88 NR1H2 (0.33) NR1H2NR1H3ATRATRIPBRD4
SCHEMBL3044248 0.88 MEN1 (0.45) HRH3NR1H2NR1H3
SCHEMBL3037531 0.88 NR1H2 (0.36) NR1H2NR1H3ATRATRIPBRD4

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 HRH3 229/4885NR1H2 21/4885NR1H3 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.