Sugi Predict

Sugi Predict / Compounds / SCHEMBL7600611

SCHEMBL7600611

SCHEMBL7600611

CC1(Cc2ccccc2)NC(=N)N(Cc2ccc(CNC(=O)Nc3cccc(N)c3)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.43
▸ KDR P35968 1/20 0.42
▸ RAB9A P51151 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MTOR P42345 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ROCK2 O75116 2/20 0.39

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
SCHEMBL7600693 0.91 FPR2 (0.49) NAMPTKDRRAB9ANPC1SMN1; SMN2
SCHEMBL8290312 0.91 RAB9A (0.44) NAMPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL8411763 0.90 SMN1; SMN2 (0.49) NAMPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7518767 0.89 EGFR (0.45) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL7519102 0.88 POLB (0.47) NAMPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL7517522 0.88 ALDH1A1 (0.49) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL7517614 0.88 SMN1; SMN2 (0.55) NAMPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8265116 0.88 BACE1 (0.46) NAMPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL7604025 0.86 RAB9A (0.43) NAMPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL7518770 0.86 NR3C2 (0.49) SMN1; SMN2HPGDMEN1KMT2ANR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2013-01-17 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-8242112-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-08-14 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-8178513-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-15 — — US disclosed
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2011-09-08 — — US disclosed
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-7763609-B2 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION (US) 2010-07-27 — — US disclosed
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-12-10 — — US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 — — US disclosed
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example SCHERING CORPORATION & PHARMACOPEIA DRUG DISCOVERY, INC. 2008-08-21 — — 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 (8 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 NAMPT 3585/4885KDR 3864/4885RAB9A 2824/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D NAMPT 2915/4885KDR 4497/4885RAB9A 3578/4885
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 NAMPT 3585/4885KDR 3864/4885RAB9A 2824/4885
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ NAMPT 3563/4885KDR 4212/4885RAB9A 2946/4885
US-20080200445-A1 Use in treatment of cardiovascular diseases, cognitive and neurodegenerative diseases, inhibitors of Human Immunodeficiency Virus, plasmepsins, cathepsin D and protozoal enzymes; 4-imidazolidinone, 5-(3'-chloro[1,1'-biphenyl]-3-yl)-5-cyclopropyl-2-imino-3-(2,2,2-trifluoroethyl)-, for example CTSZ, CTSL, PRSS1 NAMPT 4064/4885KDR 2690/4885RAB9A 1135/4885
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 NAMPT 3585/4885KDR 3864/4885RAB9A 2824/4885
US-20130018066-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 NAMPT 3585/4885KDR 3864/4885RAB9A 2824/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D NAMPT 2915/4885KDR 4497/4885RAB9A 3578/4885

“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.