SCHEMBL2952804

SCHEMBL2952804

CC#CCN1c2c(nc(NCCc3ccccc3)n(C)c2=O)N(OC(=O)C(F)(F)F)C1N1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.35
CYP3A4 P08684 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HDAC6 Q9UBN7 1/20 0.32
HSD17B10 Q99714 2/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
GSK3B P49841 1/20 0.31
LMNA P02545 4/20 0.31
HTT P42858 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 1/20 0.31
TNF P01375 1/20 0.31
RAB9A P51151 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
MAPK1 P28482 2/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL2961124 0.93 DPP4 (0.36) DPP4MAPTALDH1A1FAPTSHR
SCHEMBL2958725 0.89 DPP4 (0.33) DPP4FAP
SCHEMBL2964155 0.89 HTR2C (0.38) DPP4CYP3A4HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL2960940 0.86
SCHEMBL2962138 0.86 DPP4 (0.37) DPP4FAPRXFP1
SCHEMBL2952643 0.86 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL2967793 0.86 PRLHR (0.33) DPP4LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL2968285 0.85 MAOB (0.34) DPP4MAOAMAOBFAP
SCHEMBL2965594 0.85 ALDH1A1 (0.34) DPP4LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL2964934 0.85 DPP4 (0.35) DPP4LMNAFAP

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 6 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-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 DPP4 4422/4885CYP3A4 1180/4885MAOA 2710/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885CYP3A4 470/4885MAOA 2096/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885CYP3A4 470/4885MAOA 2096/4885

“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.