SCHEMBL2965594

SCHEMBL2965594

CC#CCN1c2c(nc(NCc3ccc(OC)cc3)n(C)c2=O)N(OC(=O)C(F)(F)F)C1N1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM1A O60341 3/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
PRLHR P49683 1/20 0.31
CHRM1 P11229 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
SCHEMBL2967793 0.92 PRLHR (0.33) ALDH1A1MEN1MAPTKMT2APOLB
SCHEMBL2961124 0.92 DPP4 (0.36) ALDH1A1MAPTTSHRPKMGAA
SCHEMBL2965123 0.87 DPP4 (0.31) ALDH1A1TSHRUSP2MAPK1LMNA
SCHEMBL2952643 0.86 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL2952804 0.85 DPP4 (0.35) ALDH1A1MAPTTSHRUSP2MAPK1
SCHEMBL2954886 0.85 LMNA (0.30) LMNADPP4
SCHEMBL2958725 0.84 DPP4 (0.33) CHRM1DPP4
SCHEMBL2954374 0.83 DPP4 (0.32) DPP4
SCHEMBL2960940 0.83
SCHEMBL2958890 0.83 DPP4 (0.32) DPP4

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 5 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-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 (2 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-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 ALDH1A1 686/4885MEN1 375/4885MAPT 4084/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 ALDH1A1 686/4885MEN1 375/4885MAPT 4084/4885

“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.