SCHEMBL4024276

SCHEMBL4024276

Oc1nc(-c2ccccn2)nc(O)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
FFAR1 O14842 7/20 0.48
GRM5 P41594 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
AGTR1 P30556 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL4022147 0.82 METAP1 (0.51) KDM4ETDP1FFAR1GRM5L3MBTL1
SCHEMBL2836445 0.81 ACLY (0.39) FFAR1
SCHEMBL27930092 0.80 KDM4E (0.54) KDM4ETDP1FFAR1GRM5L3MBTL1
SCHEMBL4017715 0.79 GRM5 (0.40) KDM4EGRM5NPC1RAB9A
SCHEMBL28509029 0.72 KDM4E (0.45) KDM4ETDP1FFAR1GRM5L3MBTL1
SCHEMBL12320145 0.72 KDM4E (0.47) KDM4ETDP1FFAR1GRM5L3MBTL1
SCHEMBL20665659 0.72 KDM4E (0.63) KDM4ETDP1FFAR1GRM5L3MBTL1
SCHEMBL31420202 0.71 CCR1 (0.44) KDM4ETDP1FFAR1GRM5L3MBTL1
SCHEMBL1443106 0.71 KDM4E (0.68) KDM4ETDP1GRM5L3MBTL1ALOX15
SCHEMBL20665699 0.71 RAB9A (0.44) KDM4ETDP1FFAR1GRM5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2017-06-22 US disclosed
US-9649317-B2 Heterocyclic compounds and their use for the treatment of neurodegenerative tauopathies THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-16 US disclosed
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2015-08-13 US disclosed
EP-1504001-B1 2-(2-PYRIDYL)-5-PHENYL-6-AMINOPYRIMIDINE, METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION AND USE THEREOF FOR COMBATING NOXIOUS FUNGI BASF SE (DE) 2009-04-15 EP disclosed
US-7320975-B2 2-(2-pyridyl)-5-phenyl-6-aminopyrimidine, method and intermediate products for the production and use thereof for combating noxious fungi BASF AKTIENGESELLSCHAFT (DE) 2008-01-22 US disclosed
US-20050107401-A1 2- (2-pyridyl) -5-phenyl-6-aminopyrimidine, method and intermediate products for the production and use thereof for combating noxious fungi BASF AKTIENGESELLSCHAFT (DE) 2005-05-19 US disclosed
EP-1504001-A1 2-(2-PYRIDYL)-5-PHENYL-6-AMINOPYRIMIDINE, METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION AND USE THEREOF FOR COMBATING NOXIOUS FUNGI BASF Aktiengesellschaft (DE) 2005-02-09 EP disclosed
WO-2003070721-A1 2-(2-PYRIDYL)-5-PHENYL-6-AMINOPYRIMIDINE, METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION AND USE THEREOF FOR COMBATING NOXIOUS FUNGI BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 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 (3 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-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, PRNP, PSEN2 KDM4E 2439/4885TDP1 34/4885FFAR1 4671/4885
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, SYNJ1, PARK7 KDM4E 3159/4885TDP1 62/4885FFAR1 4575/4885
US-20050107401-A1 2- (2-pyridyl) -5-phenyl-6-aminopyrimidine, method and intermediate products for the production and use thereof for combating noxious fungi HAAO, HAO1, DAO KDM4E 2544/4885TDP1 377/4885FFAR1 2933/4885

“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.