SCHEMBL3041900

SCHEMBL3041900

COc1ccc(-c2ccc(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c3c2CNC3=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.38
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
CHEK1 O14757 1/20 0.36
NR1H3 Q13133 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
BCL2A1 Q16548 1/20 0.34

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
SCHEMBL3044637 0.93 NR1H2 (0.39) NR1H2NR1H3TBK1
SCHEMBL3044421 0.93 NR1H2 (0.39) NR1H2CHEK1NR1H3TBK1
SCHEMBL3043638 0.92 NR1H2 (0.40) NR1H2CHEK1NR1H3TBK1
SCHEMBL3046959 0.92 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL3043530 0.92 NR1H2 (0.36) NR1H2NR1H3TBK1
SCHEMBL3037413 0.91 NR1H2 (0.36) NR1H2ATRATRIPNR1H3TBK1
SCHEMBL3034197 0.91 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL3047269 0.89 MEN1 (0.37) NR1H2ATRATRIPCHEK1NR1H3
SCHEMBL3048711 0.89 KDM4E (0.42) NR1H2NR1H3KDM4ETBK1
SCHEMBL3048136 0.89 NR1H2 (0.38) NR1H2NR1H3KDM4ETBK1

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 NR1H2 21/4885ATR 1385/4885ATRIP 2102/4885

“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.