SCHEMBL1920495

SCHEMBL1920495

O/N=C/c1cncc(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NOX1 Q9Y5S8 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
HASPIN Q8TF76 1/20 0.30
FGF23 Q9GZV9 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PPP1R15A O75807 1/20 0.30

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
SCHEMBL1920497 1.00 HTT (0.33) HTTHPGDNPSR1MAPTCDK5
SCHEMBL1921127 0.80 L3MBTL1 (0.33) HTTPOLBL3MBTL1KDM4EKMT2A
SCHEMBL1921126 0.80 L3MBTL1 (0.33) HTTPOLBL3MBTL1KDM4EKMT2A
SCHEMBL13062734 0.79 MAPT (0.30) HTTNPSR1MAPTCDK5CDK5R1
SCHEMBL1180294 0.76 NPSR1 (0.43) HTTNPSR1MAPTCDK5CDK5R1
SCHEMBL1180296 0.76 NPSR1 (0.43) HTTNPSR1MAPTCDK5CDK5R1
SCHEMBL1982833 0.75 CCNT1 (0.43) HTTHPGDMAPTCDK5CDK5R1
SCHEMBL1982834 0.75 CCNT1 (0.43) HTTHPGDMAPTCDK5CDK5R1
SCHEMBL4637840 0.73 GAA (0.42) HTTHPGDCDK5CDK5R1L3MBTL1
SCHEMBL4637844 0.73 GAA (0.42) HTTHPGDCDK5CDK5R1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP disclosed
EP-2099796-B1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2011-06-01 EP disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
EP-2099796-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-09-16 EP disclosed
EP-2069354-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-06-17 EP disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 WO disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 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-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI HTT 4010/4885HPGD 443/4885NPSR1 4362/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 HTT 4686/4885HPGD 431/4885NPSR1 4376/4885

“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.