SCHEMBL2956844

SCHEMBL2956844

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C(C)O)c1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
ATM Q13315 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CKS1B P61024 2/20 0.35
SKP1 P63208 2/20 0.35
SKP2 Q13309 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ADORA1 P30542 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
TP53 P04637 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
SCHEMBL2952662 0.91 KCNH2 (0.38) KCNH2ATMMEN1KMT2ASMN1; SMN2
SCHEMBL2956767 0.90 CKS1B (0.41) KCNH2ATMMEN1KMT2ASMN1; SMN2
SCHEMBL2956517 0.87 KCNH2 (0.41) KCNH2ATMMEN1KMT2ASMN1; SMN2
SCHEMBL2956820 0.86 KCNH2 (0.41) KCNH2ATMMEN1KMT2ASMN1; SMN2
SCHEMBL2954841 0.85 KCNH2 (0.40) KCNH2ATMMEN1KMT2ASMN1; SMN2
SCHEMBL2956304 0.85 KCNH2 (0.40) KCNH2ATMMEN1KMT2ASMN1; SMN2
SCHEMBL2959516 0.85 KCNH2 (0.46) KCNH2ATMMEN1KMT2ASMN1; SMN2
SCHEMBL2965716 0.84 KCNH2 (0.40) KCNH2ATMMEN1KMT2ASMN1; SMN2
SCHEMBL2959239 0.83 ATM (0.40) KCNH2ATMMEN1KMT2ASMN1; SMN2
SCHEMBL2962659 0.82 ALDH1A1 (0.42) KCNH2ATMSMN1; SMN2CYP2C19ALDH1A1

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 8 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
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US 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 (3 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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 KCNH2 77/4885ATM 724/4885MEN1 164/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KCNH2 106/4885ATM 3306/4885MEN1 375/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KCNH2 106/4885ATM 3306/4885MEN1 375/4885

“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.