SCHEMBL3877546

SCHEMBL3877546

Cn1cnc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.59
KIT P10721 2/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
MAP4K4 O95819 1/20 0.48
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
GPR119 Q8TDV5 6/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
POLB P06746 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL3885854 0.84 PIK3CD (0.45) PIK3CDKITCNR1CNR2MAP4K4
SCHEMBL25387193 0.82 CNR1 (0.52) PIK3CDKITCNR1CNR2MAP4K4
SCHEMBL27553142 0.81 PIK3CD (0.58) PIK3CDGPR119ADORA1ADORA2A
SCHEMBL3879733 0.80 CNR1 (0.57) PIK3CDKITCNR1CNR2MAP4K4
SCHEMBL30225432 0.78 KIT (0.58) KITCNR1CNR2MAP4K4CKS1B
SCHEMBL1031240 0.78 KIT (0.58) KITCNR1CNR2MAP4K4CKS1B
SCHEMBL17274907 0.77 HRH4 (0.51) KITCNR1CNR2MAPTALDH1A1
SCHEMBL23932490 0.77 KIT (0.54) KITCNR1CNR2MAP4K4CKS1B
SCHEMBL15728505 0.77 MAP4K4 (0.61) KITCNR1CNR2MAP4K4CKS1B
SCHEMBL3874202 0.77 KIT (0.52) PIK3CDKITCNR1CNR2MAP4K4

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 9 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-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
CN-100376573-C Fused 1, 3-dihydro-imidazole ring compounds EISAI CO LTD (JP) 2008-03-26 CN disclosed
US-20060111362-A1 1,3-Dihydroimidazole ring compound EISAI CO., LTD. (JP) 2006-05-25 US disclosed
CN-1745080-A 1,3-dihydroimidazole fused-ring compound EISAI CO LTD (JP) 2006-03-08 CN disclosed
EP-1568699-A1 1,3-DIHYDROIMIDAZOLE FUSED-RING COMPOUND Eisai Co., Ltd. (JP) 2005-08-31 EP disclosed
US-6423716-B1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-07-23 US disclosed
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 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 PIK3CD 4371/4885KIT 4046/4885CNR1 560/4885

“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.