SCHEMBL9528787

SCHEMBL9528787

NCCNc1nc(N)nc(NCCN)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CXCR4 P61073 1/20 0.40
HTR7 P34969 12/20 0.36
HTR6 P50406 5/20 0.36
ADRA1D P25100 3/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1B P35368 3/20 0.36
HTR2C P28335 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HTR1A P08908 4/20 0.35
DRD2 P14416 4/20 0.35
HTR2A P28223 4/20 0.35
TLR8 Q9NR97 1/20 0.34
CA12 O43570 1/20 0.34
HDAC1 Q13547 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL17577086 0.98 CA1 (0.39) CA1CA2CA9CXCR4HTR7
SCHEMBL18062209 0.95 CA1 (0.41) CA1CA2CA9CXCR4HTR7
SCHEMBL9528515 0.95 CA9 (0.43) CA1CA2CA9CXCR4HTR7
SCHEMBL22931512 0.91 HRH3 (0.44) CA1CA2CA9CXCR4HTR7
SCHEMBL430482 0.89 CXCR4 (0.40) CA1CA2CA9CXCR4CA12
SCHEMBL17826472 0.88 LMNA (0.45) CA1CA2CA9TLR8
SCHEMBL17577101 0.88 TLR8 (0.36) CA1CA2CA9CXCR4HTR7
SCHEMBL18680424 0.88 CYP1A2 (0.44) CA1CA2CA9NPSR1TLR8
SCHEMBL14725030 0.86 TLR8 (0.51) CA1CA2CA9TLR8
SCHEMBL18466743 0.85 HSP90AA1 (0.37) CA1CA2CA9CXCR4HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11440304-B2 Laminate and its production method AGC Inc. (JP) 2022-09-13 US disclosed
EP-3561151-B1 COMPOSITION FOR FORMING COATING, PRODUCTION METHOD FOR SURFACE-TREATED METAL MEMBER, AND PRODUCTION METHOD FOR METAL-RESIN COMPOSITE MEC CO LTD (JP) 2021-02-03 EP disclosed
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND Mori, Kunio (JP) 2017-11-23 US disclosed
US-9790242-B2 Surface treatment method, surface treatment agent, and novel compound Mori, Kunio (JP) 2017-10-17 US disclosed
WO-2016036847-A9 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2017-04-20 WO disclosed
US-20170088671-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2017-03-30 US disclosed
US-9562137-B2 Synthetic polymers and methods of making and using the same BATTELLE MEMORIAL INSTITUTE (US) 2017-02-07 US disclosed
WO-2016036847-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2016-03-10 WO disclosed
US-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-06-04 US disclosed
US-9023139-B2 Coloring composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2015-05-05 US disclosed
EP-2821444-A1 COLORED COMPOSITION, INKJET RECORDING INK, AND INKJET RECORDING METHOD Fujifilm Corporation (JP) 2015-01-07 EP disclosed
US-20140368573-A1 COLORING COMPOSITION, INK FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2014-12-18 US disclosed
US-8845760-B2 Compound having multimer structure of xanthene derivative, coloring composition, ink for inkjet recording, method of inkjet recording, color filter, and color toner FUJIFILM CORPORATION (JP) 2014-09-30 US disclosed
US-20140176653-A1 NOVEL COMPOUND HAVING MULTIMER STRUCTURE OF XANTHENE DERIVATIVE, COLORING COMPOSITION, INK FOR INKJET RECORDING, METHOD OF INKJET RECORDING, COLOR FILTER, AND COLOR TONER FUJIFILM CORPORATION (JP) 2014-06-26 US disclosed
US-20140176653-A1 NOVEL COMPOUND HAVING MULTIMER STRUCTURE OF XANTHENE DERIVATIVE, COLORING COMPOSITION, INK FOR INKJET RECORDING, METHOD OF INKJET RECORDING, COLOR FILTER, AND COLOR TONER FUJIFILM CORPORATION (JP) 2014-06-26 US disclosed
EP-0179408-B1 AMIDOALKYL MELAMINES AND AMINOALKYL MELAMINES, AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1993-09-08 EP disclosed
US-4670558-A POLYURETHANE INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 1987-06-02 US disclosed
EP-0179408-A2 Amidoalkyl melamines and aminoalkyl melamines, and process for their preparation BASF Aktiengesellschaft (DE) 1986-04-30 EP 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-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND EPCAM, ITGAM, MET CA1 486/4885CA2 1279/4885CA9 2898/4885
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND EPCAM, MET, ITGAM CA1 159/4885CA2 860/4885CA9 1680/4885

“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.