SCHEMBL8249206

SCHEMBL8249206

CN1c2ccc(Cl)cc2NC(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.54
CES1 P23141 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
TNK2 Q07912 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
OPRK1 P41145 3/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
PDE4D Q08499 1/20 0.41
TGM2 P21980 1/20 0.41
GABRP O00591 1/20 0.41

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
SCHEMBL7852676 0.82 CHEK1 (0.54) CHEK1CES1KDM4EALDH1A1LMNA
SCHEMBL8889387 0.82 DRD2 (0.42) CHEK1CES1KDM4EALDH1A1DRD2
SCHEMBL11633225 0.81 CES1 (0.44) CHEK1CES1LMNATGM2PPOX
SCHEMBL27089618 0.81 CHEK1 (0.55) CHEK1CES1KDM4EALDH1A1DRD2
SCHEMBL9827381 0.79 CHEK1 (0.50) CHEK1CES1CHRM2TGM2PPOX
SCHEMBL17086038 0.79 NR1H2 (0.55) CHEK1KDM4EALDH1A1LMNAMAPT
SCHEMBL9827424 0.77 CHEK1 (0.45) CHEK1CES1CHRM2TGM2
SCHEMBL9827434 0.76 RAB9A (0.59) CHEK1CHRM2
SCHEMBL17085958 0.76 CASP3 (0.53) CHEK1KDM4EALDH1A1LMNA
SCHEMBL9828072 0.76 CHEK1 (0.44) CHEK1CES1CHRM2TGM2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 CHEK1 4704/4885CES1 384/4885KDM4E 465/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 CHEK1 4704/4885CES1 384/4885KDM4E 465/4885

“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.