SCHEMBL1458358

SCHEMBL1458358

Nc1ccn2cc(-c3ccccc3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.67
TLR7 Q9NYK1 2/20 0.67
PLK4 O00444 1/20 0.60
JAK2 O60674 1/20 0.60
RET P07949 1/20 0.60
PIM1 P11309 1/20 0.60
FGFR1 P11362 1/20 0.60
FLT1 P17948 1/20 0.60
KDR P35968 1/20 0.60
FLT3 P36888 1/20 0.60
PIM3 Q86V86 1/20 0.60
ALK Q9UM73 1/20 0.60
SCD O00767 1/20 0.59
ALDH1A1 P00352 2/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
ALDH1A2 O94788 1/20 0.51
ALDH1A3 P47895 1/20 0.51
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51

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
Hydrochloric Acid SCHEMBL16341016 0.98 TLR9 (0.65) TLR9TLR7PLK4JAK2RET
SCHEMBL16603445 0.84 TLR9 (0.68) TLR9TLR7PLK4JAK2RET
SCHEMBL21657744 0.84 TLR9 (0.68) TLR9TLR7PLK4JAK2RET
SCHEMBL19149042 0.83 TLR9 (0.56) TLR9TLR7PLK4JAK2RET
SCHEMBL13325776 0.83 TLR9 (0.65) TLR9PLK4JAK2RETPIM1
Hydrochloric Acid SCHEMBL16341348 0.83 TLR9 (0.66) TLR9TLR7PLK4JAK2RET
Bromide SCHEMBL16600013 0.83 TLR9 (0.66) TLR9TLR7PLK4JAK2RET
SCHEMBL13325781 0.81 SCD (0.65) TLR9PLK4JAK2RETPIM1
SCHEMBL18780122 0.80 TLR9 (0.63) TLR9TLR7PLK4JAK2RET
SCHEMBL16599930 0.80 TLR9 (1.00) TLR9TLR7ALDH1A1ADORA1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480546-B1 Imidazopyridine or imidazopyrimidine derivatives as phosphodiesterase 10A inhibitors HOFFMANN LA ROCHE (CH) 2014-12-31 EP claimed
EP-2480546-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-14 US disclosed
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-04-13 US disclosed
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
EP-2963037-B1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARM CO LTD (JP) 2019-03-27 EP disclosed
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 US disclosed
US-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-01-31 US disclosed
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
WO-2014177493-A1 Pd-CATALYZED COUPLING OF PYRAZOLE AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
WO-2014177458-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
US-8263584-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 US disclosed
EP-2480546-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
US-8017604-B2 Imidazopyridines HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
WO-2011036127-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071128-A1 NOVEL IMIDAZOPYRIDINES HOFFMANN-LA ROCHE, INC. 2011-03-24 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 (9 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-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 TLR9 4603/4885TLR7 3921/4885PLK4 3309/4885
US-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF TSPO, GBA1, NLN TLR9 1668/4885TLR7 1010/4885PLK4 4195/4885
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HTR3D, PTGDR2, PTGIR TLR9 4609/4885TLR7 3768/4885PLK4 3906/4885
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof TSPO, GBA1, NLN TLR9 1668/4885TLR7 1010/4885PLK4 4195/4885
US-20110071128-A1 NOVEL IMIDAZOPYRIDINES PDE10A, PDE4A, PDE3A TLR9 2510/4885TLR7 2124/4885PLK4 2185/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TLR9 4391/4885TLR7 4139/4885PLK4 1221/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A TLR9 4391/4885TLR7 4139/4885PLK4 1221/4885
US-20190048002-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 TLR9 4603/4885TLR7 3921/4885PLK4 3309/4885
US-11358962-B2 2-hetaryl imidazol[1,2-a]pyridine derivatives TBXA2R, HRH2, CYP4F3 TLR9 4726/4885TLR7 3864/4885PLK4 3953/4885

“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.