SCHEMBL2005654

SCHEMBL2005654

FC(F)(F)c1ccnc(N2CCCNCC2)n1

nearest known ligand 0.89

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.89
PKM P14618 2/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 3/20 0.51
RBP4 P02753 1/20 0.50
HTR2C P28335 3/20 0.48
HTR2A P28223 2/20 0.48
HTR2B P41595 2/20 0.48
ROCK2 O75116 3/20 0.46
SLC6A7 Q99884 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ROCK1 Q13464 1/20 0.46
OGA O60502 1/20 0.46
HRH1 P35367 1/20 0.45
PARP1 P09874 1/20 0.44

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
SCHEMBL230177 0.94 ADRB1 (1.00) ADRB1PKMKMT2AKDM4ERBP4
Hydrochloric Acid SCHEMBL17541669 0.93 ADRB1 (0.97) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL28070992 0.86 ADRB1 (0.73) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL13286847 0.85 ADRB1 (0.71) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL8354208 0.83 ADRB1 (0.78) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL11916019 0.79 ADRB1 (0.72) ADRB1KDM4EHTR2CROCK2ALDH1A1
SCHEMBL3556451 0.79 ADRB1 (0.71) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL16655537 0.78 ADRB1 (0.70) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL30309097 0.78 ADRB1 (0.54) ADRB1KDM4EROCK2ALDH1A1ROCK1
SCHEMBL1999765 0.77 ADRB1 (0.69) ADRB1PKMKMT2AKDM4ERBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
EP-2516425-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2015-09-02 EP disclosed
WO-2014207508-A1 PYRIDYL COMPOUND SUITABLE FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2014-12-31 WO disclosed
WO-2014184248-A2 TRPA1 ANTAGONIST COMPOUNDS Acturum Life Science AB (SE) 2014-11-20 WO disclosed
US-20140080799-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2014-03-20 US disclosed
US-8563539-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2013-10-22 US disclosed
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2011-06-23 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 EP disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 US disclosed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 US disclosed
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 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 (6 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-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 ADRB1 58/4885PKM 1788/4885KMT2A 3603/4885
US-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 ADRB1 4057/4885PKM 1374/4885KMT2A 3224/4885
US-20140080799-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 ADRB1 1695/4885PKM 395/4885KMT2A 1416/4885
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF ADRB1 1398/4885PKM 837/4885KMT2A 2688/4885
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 ADRB1 1699/4885PKM 402/4885KMT2A 1400/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP ADRB1 257/4885PKM 1326/4885KMT2A 3893/4885

“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.