SCHEMBL11948732

SCHEMBL11948732

Cc1c(C#N)nnn1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 3/20 0.49
GRM2 Q14416 2/20 0.46
SLC9A1 P19634 1/20 0.46
POLB P06746 2/20 0.44
KDM4E B2RXH2 3/20 0.44
IDO1 P14902 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.42
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
MAPK13 O15264 1/20 0.41
PDPK1 O15530 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 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
SCHEMBL31144897 0.82 ALDH1A1 (0.56) ALDH1A1HPGDTDP1TSHRGRM2
SCHEMBL10888984 0.81 HPGD (0.55) ALDH1A1HPGDTDP1TSHRGRM2
SCHEMBL435010 0.78 KDM4E (0.54) ALDH1A1HPGDTSHRGRM2SLC9A1
SCHEMBL1233545 0.75 TSHR (0.50) ALDH1A1HPGDTDP1TSHRPOLB
SCHEMBL18006020 0.74 ALDH1A1 (1.00) ALDH1A1HPGDTDP1TSHRGRM2
SCHEMBL5277049 0.73 MAOA (0.38) ALDH1A1HPGDTDP1GRM2SLC9A1
SCHEMBL3666291 0.71 CDC7 (0.53) ALDH1A1HPGDTDP1TSHRGRM2
SCHEMBL4352982 0.71 TSHR (0.51) ALDH1A1HPGDTDP1TSHRPOLB
SCHEMBL4355668 0.71 TSHR (0.73) ALDH1A1HPGDTSHRPOLBKDM4E
SCHEMBL795210 0.71 HPGD (0.68) HPGDTSHRPOLBKMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350202-B1 AZO DYES FOR DYEING AND PRINTING HYDROPHOBIC MATERIALS DYSTAR COLOURS DISTRIB GMBH (DE) 2014-01-15 EP disclosed
EP-2125962-B1 DISPERSION DYE, THE PRODUCTION AND USE THEREOF DYSTAR COLOURS DISTRIB GMBH (DE) 2013-05-22 EP disclosed
US-8231691-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2012-07-31 US disclosed
US-8231691-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2012-07-31 US disclosed
US-8070832-B2 Disperse dyes, their preparation and use DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-12-06 US disclosed
US-8070832-B2 Disperse dyes, their preparation and use DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-12-06 US disclosed
EP-2254951-B1 DISPERSE DYES, THEIR PREPARATION AND USE DYSTAR COLOURS DEUTSCHLAND (DE) 2011-10-19 EP disclosed
US-20110247150-A1 DISPERSE DYES, THEIR PREPARATION AND USE DYSTAR COLOURS DEUTSCHLANDS GMBH (DE) 2011-10-13 US disclosed
US-20110247150-A1 DISPERSE DYES, THEIR PREPARATION AND USE DYSTAR COLOURS DEUTSCHLANDS GMBH (DE) 2011-10-13 US disclosed
US-7909891-B2 Azo dyes for dyeing and printing hydrophobic materials DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2011-03-22 US disclosed
US-20100281629-A1 AZO DYES FOR DYEING AND PRINTING HYDROPHOBIC MATERIALS DyStar Colours Deustschland GmbH (DE) 2010-11-11 US disclosed
US-20100281629-A1 AZO DYES FOR DYEING AND PRINTING HYDROPHOBIC MATERIALS DyStar Colours Deustschland GmbH (DE) 2010-11-11 US disclosed
US-20100196676-A1 AZO DYES HUNTSMAN INTERNATIONAL LLC (US) 2010-08-05 US disclosed
US-20100196676-A1 AZO DYES HUNTSMAN INTERNATIONAL LLC (US) 2010-08-05 US disclosed
US-20100076182-A1 DISPERSION DYE, THE PRODUCTION AND USE THEREOF DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2010-03-25 US disclosed
US-20100076182-A1 DISPERSION DYE, THE PRODUCTION AND USE THEREOF DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2010-03-25 US disclosed
WO-2009037215-A2 AZO DYES FOR DYEING AND PRINTING HYDROPHOBIC MATERIALS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-03-26 WO disclosed
WO-2009019207-A1 DISPERSE DYES, THEIR PREPARATION AND USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2009-02-12 WO disclosed
WO-2009013122-A2 AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2009-01-29 WO disclosed
WO-2008090042-A1 DISPERSION DYE, THE PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2008-07-31 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-20100281629-A1 AZO DYES FOR DYEING AND PRINTING HYDROPHOBIC MATERIALS H1-3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 ALDH1A1 1742/4885HPGD 956/4885TDP1 2570/4885

“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.