SCHEMBL3885644

SCHEMBL3885644

CC#CCn1c(=O)[nH]c2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.50
MAP4K4 O95819 1/20 0.40
ACHE P22303 1/20 0.38
MMP13 P45452 3/20 0.37
ADAM17 P78536 3/20 0.37
MMP1 P03956 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
DDB1 Q16531 3/20 0.37
CRBN Q96SW2 3/20 0.37
GPR119 Q8TDV5 5/20 0.36
MAPT P10636 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
PTPN11 Q06124 1/20 0.35
KCNH2 Q12809 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
SCHEMBL13876153 0.87 KIT (0.54) KITMAP4K4ACHECNR1CNR2
SCHEMBL3873555 0.84 KIT (0.37) KITACHEMMP13ADAM17MMP1
SCHEMBL3882036 0.78 GPR119 (0.40) KITMAP4K4CNR1CNR2GPR119
SCHEMBL3877266 0.76 ACHE (0.40) KITACHEMMP13ADAM17MMP1
SCHEMBL3879673 0.75 RET (0.40) KITMMP13ADAM17MMP1GPR119
SCHEMBL2952546 0.75 DPP4 (0.45) GPR119KCNH2
SCHEMBL3874252 0.74 CNR1 (0.42) KITMAP4K4CNR1CNR2GPR119
SCHEMBL3874827 0.73 GPR119 (0.41) KITCNR1CNR2GPR119MAPT
SCHEMBL5719063 0.73 DPP4 (0.37) ACHEGPR119KCNH2
SCHEMBL2952903 0.73 DPP4 (0.47) ACHE

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-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-20060111362-A1 1,3-Dihydroimidazole ring compound EISAI CO., LTD. (JP) 2006-05-25 US disclosed
EP-1568699-A1 1,3-DIHYDROIMIDAZOLE FUSED-RING COMPOUND Eisai Co., Ltd. (JP) 2005-08-31 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-20060111362-A1 1,3-Dihydroimidazole ring compound NR2C2, NR0B2, DPP4 KIT 4046/4885MAP4K4 3017/4885ACHE 716/4885

“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.