SCHEMBL2960897

SCHEMBL2960897

Cn1ncc2nc(N3CCCC(NC(=O)O)C3)[nH]c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 16/20 0.38
BPTF Q12830 1/20 0.38
SPR P35270 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL13217402 0.81 DPP4 (0.47)
SCHEMBL6417245 0.79 DPP4 (0.34) KAT2BBPTFSPRBTK
SCHEMBL27623279 0.74 HTR3A (0.40)
SCHEMBL22464692 0.74 BCHE (0.54)
SCHEMBL6408912 0.73 SLC6A9 (0.34)
SCHEMBL13217366 0.71 HTR3A (0.44) TSHRHSD17B10
SCHEMBL16505439 0.71 PIM2 (0.42) KAT2BBPTFGAATSHRHSD17B10
SCHEMBL2572216 0.71 PIM2 (0.42) KAT2BBPTFGAATSHRHSD17B10
SCHEMBL16505148 0.71 PIM2 (0.42) KAT2BBPTFGAATSHRHSD17B10
SCHEMBL16504578 0.68 MEN1 (0.40) OPRK1GAABTK

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
CN-100469778-C Novel fused imidazole derivatives EISAI R&D MAN CO LTD (JP) 2009-03-18 CN disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
CN-100348599-C Novel fused imidazole derivatives EISAI CO LTD (JP) 2007-11-14 CN disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
CN-1931859-A New fused imidazole derivative EISAI CO LTD (JP) 2007-03-21 CN disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
CN-1700911-A Combination drug EISAI CO LTD (JP) 2005-11-23 CN disclosed
CN-1675208-A Novel fused imidazole derivatives EISAI CO LTD (JP) 2005-09-28 CN disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 KAT2B 1634/4885BPTF 3095/4885SPR 2865/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 KAT2B 648/4885BPTF 1300/4885SPR 4378/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 KAT2B 3476/4885BPTF 1871/4885SPR 1567/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KAT2B 1271/4885BPTF 1560/4885SPR 2102/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KAT2B 1271/4885BPTF 1560/4885SPR 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.