SCHEMBL5909680

SCHEMBL5909680

Clc1n[c]nc(NC2CCCCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.56
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.37
CTSK P43235 1/20 0.36
PAK1 Q13153 1/20 0.36
PTGS2 P35354 1/20 0.34
PDE10A Q9Y233 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL8468621 0.87 PDE4A (0.50) PDE4ARAB9AKDM4EGAACTSK
SCHEMBL8966841 0.87 PDE4A (0.50) PDE4ARAB9AKDM4EGAACTSK
SCHEMBL18557113 0.79 PDE4A (0.82) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL21260552 0.79 PDE4A (0.76) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL18557112 0.79 PDE4A (0.82) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL20402878 0.79 PDE4A (0.82) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL5033894 0.79 PDE4A (0.76) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL21260553 0.79 PDE4A (0.76) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL18163295 0.79 PDE4A (0.76) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL18760598 0.79 PDE4A (0.82) PDE4ARAB9AKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060107869-A1 Inks for digital textile printing with reactive yellow fluorescent dyes DYSTAR TEXTILF DEUTSCHLAND KG (DE) 2006-05-25 US disclosed
US-5931975-A TRIAZINE REACTIVE DYES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-03 US disclosed
US-5892006-A CONTAINING S-TRIAZINE RINGS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-04-06 US disclosed
US-5735911-A TRIAZINE DYES HAVING GOOD WET AND LIGHT FASTNESS PROPERTIES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-04-07 US disclosed
US-5684138-A Asymmetrical reactive dyes containing two triazinyl radicals which are bridged via an aliphatic bridge member CIBA SPECIALTY CHEMICALS CORPORATION (US) 1997-11-04 US disclosed
US-5612463-A AMINOTRIAZINE DYES CIBA-GEIGY CORPORATION (US) 1997-03-18 US disclosed
EP-0629249-B1 PROCESS FOR THE DYEING OF CELLULOSE-CONTAINING FIBRE MATERIALS WITH REACTIVE DYES CIBA GEIGY AG (CH) 1997-01-08 EP disclosed
US-5552532-A Reactive dyes, processes for their preparation and their use CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
US-5525124-A IN PRESENCE OF REDUCED CONCENTRATION OF A MINERAL ACID SALT CIBA-GEIGY CORPORATION (US) 1996-06-11 US disclosed
US-5490866-A MIXTURE OF POLYVINYLPYRROLIDONE AND ALKALI SILICATE CIBA-GEIGY CORPORATION (US) 1996-02-13 US disclosed
US-4813972-A USING LEVELING DYES, COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1989-03-21 US disclosed
US-4772687-A AZO DYES, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US disclosed
US-4723001-A Fibre-reactive chromium complexes and their preparation and use CIBA-GEIGY CORPORATION (US) 1988-02-02 US disclosed
US-4678851-A FIBER-RACTIVE CIBA-GEIGY CORPORATION (US) 1987-07-07 US disclosed
US-4665179-A FIBER-REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 US disclosed
US-4659806-A WASH-AND COLORFASTNESS BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
US-4622396-A FIBER REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4556707-A DYEING CELLULOSE FIBERS AND POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
US-4418015-A Phthalocyanine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1983-11-29 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 (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-20060107869-A1 Inks for digital textile printing with reactive yellow fluorescent dyes IK, COL1A1, DDX41 PDE4A 944/4885RAB9A 1080/4885KDM4E 1432/4885

“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.