SCHEMBL3425518

SCHEMBL3425518

CN1CCC(OCCO)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
NCF1 P14598 1/20 0.37
SCN1A P35498 3/20 0.35
SCN2A Q99250 3/20 0.35
SCN3A Q9NY46 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM1 P11229 3/20 0.34
CHRM2 P08172 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL3425553 0.88 NPC1 (0.38) NPC1NCF1SCN1ASCN2ASCN3A
SCHEMBL13561506 0.88 CHRM1 (0.37) NPC1NCF1CHRM1CHRM2CHRM3
SCHEMBL14971167 0.88 CHRM1 (0.37) NPC1NCF1CHRM1CHRM2CHRM3
SCHEMBL29343512 0.83 ALDH1A1 (0.36) NPC1ALDH1A1NMT1
SCHEMBL22597889 0.83 NCF1 (0.41) NPC1NCF1SCN1ASCN2ASCN3A
SCHEMBL14476814 0.82 NCF1 (0.39) NPC1NCF1SCN1ASCN2ASCN3A
SCHEMBL12049582 0.80 NPC1 (0.42) NPC1NCF1SCN1ASCN2ASCN3A
SCHEMBL21733034 0.79 SMN1; SMN2 (0.41) NPC1MEN1KMT2ACYP2D6HRH3
SCHEMBL23970916 0.78 NCF1 (0.46) NPC1NCF1SCN1ASCN2ASCN3A
SCHEMBL22878380 0.78 NPC1 (0.36) NPC1LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 US disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 US disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO disclosed
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-18 US disclosed
US-9346815-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2016-05-24 US disclosed
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-26 US disclosed
US-7723527-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2010-05-25 US disclosed
US-20090270613-A1 Benzoimidazole compounds EDWARDS JAMES P 2009-10-29 US disclosed
US-20090264646-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090264645-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090264647-A1 5-Fluoro-4-methyl-2-{2-[4-(4-methyl-piperazin-1-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; leukocyte recruitment inhibition, modulating H4 receptor, and treating conditions such as inflammation JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-22 US disclosed
US-20090247508-A1 Benzoimidazole Compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-01 US disclosed
EP-1673348-B1 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
US-7432378-B2 Benzoimidazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-10-07 US disclosed
EP-1673348-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-28 EP disclosed
WO-2005044807-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-19 WO disclosed
US-20050070550-A1 Benzoimidazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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 (10 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-20090270613-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NPC1 1426/4885NCF1 196/4885SCN1A 4590/4885
US-20090264646-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NPC1 1426/4885NCF1 196/4885SCN1A 4590/4885
US-20050070550-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NPC1 1426/4885NCF1 196/4885SCN1A 4590/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF NPC1 4333/4885NCF1 1619/4885SCN1A 2132/4885
US-20090264647-A1 5-Fluoro-4-methyl-2-{2-[4-(4-methyl-piperazin-1-yl)-butoxy]-pyridin-4-yl}-1H-benzoimidazole; leukocyte recruitment inhibition, modulating H4 receptor, and treating conditions such as inflammation HRH4, HRH3, BRD4 NPC1 1645/4885NCF1 278/4885SCN1A 4451/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 NPC1 2578/4885NCF1 1705/4885SCN1A 2344/4885
US-20090247508-A1 Benzoimidazole Compounds HRH4, HRH3, BRD4 NPC1 1426/4885NCF1 196/4885SCN1A 4590/4885
US-20090264645-A1 Benzoimidazole compounds HRH4, HRH3, BRD4 NPC1 1426/4885NCF1 196/4885SCN1A 4590/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 NPC1 2578/4885NCF1 1705/4885SCN1A 2344/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 NPC1 2578/4885NCF1 1705/4885SCN1A 2344/4885

“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.