SCHEMBL8103923

SCHEMBL8103923

NC[C@@H](O)CN(N)Cc1ccc(-c2ccccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
DPP4 P27487 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1I2 O75469 2/20 0.36
MLNR O43193 1/20 0.36
SLCO2B1 O94956 1/20 0.36
ABCB11 O95342 1/20 0.36
ABCB1 P08183 1/20 0.36
UGT1A1 P22309 1/20 0.36
CCKAR P32238 1/20 0.36
OPRK1 P41145 1/20 0.36
GHSR Q92847 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36

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
SCHEMBL2179765 0.88 CYP1A2 (0.42) CCNE1CDK2DPP4CYP1A2CYP2D6
SCHEMBL12327804 0.85 HCAR2 (0.40) NR1I2MLNRSLCO2B1ABCB11ABCB1
SCHEMBL8152590 0.79 UGT1A1 (0.43) DPP4NR1I2MLNRSLCO2B1ABCB11
SCHEMBL2177873 0.79 UGT1A1 (0.43) DPP4NR1I2MLNRSLCO2B1ABCB11
SCHEMBL3393562 0.79 UGT1A1 (0.43) DPP4NR1I2MLNRSLCO2B1ABCB11
Hydrochloric Acid SCHEMBL1300940 0.78 UGT1A1 (0.43) DPP4NR1I2MLNRSLCO2B1ABCB11
Hydrochloric Acid SCHEMBL30018372 0.78 UGT1A1 (0.43) DPP4NR1I2MLNRSLCO2B1ABCB11
Hydrochloric Acid SCHEMBL6156798 0.78 UGT1A1 (0.43) DPP4NR1I2MLNRSLCO2B1ABCB11
SCHEMBL2179770 0.78 CA12 (0.41) CCNE1CDK2DPP4CYP1A2CYP2D6
SCHEMBL17635682 0.77 UGT1A1 (0.49) DPP4NR1I2MLNRSLCO2B1ABCB11

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
EP-2980074-A1 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS Bristol-Myers Squibb Holdings Ireland (CH) 2016-02-03 EP disclosed
US-20110269677-A1 Oligomer-Protease Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2011-11-03 US disclosed
EP-2178513-B1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2011-03-30 EP disclosed
EP-2178511-B1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2011-03-02 EP disclosed
WO-2009002829-A2 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 WO disclosed
WO-2009002823-A2 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 WO disclosed
WO-2009002821-A2 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 WO disclosed
WO-2005108349-A2 PROCESS FOR PREPARING ATAZANAVIR BISULFATE AND NOVEL FORMS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-17 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 (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-20110269677-A1 Oligomer-Protease Inhibitor Conjugates ADAM17, DNPEP, SERPINB1 CCNE1 1534/4885CDK2 1099/4885DPP4 65/4885

“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.