SCHEMBL17224980

SCHEMBL17224980

CCOC(=O)c1c(C)nc2c(OCc3c(F)ccc(F)c3F)cc(Br)cn12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HCRTR1 O43613 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
GUCY1B2 O75343 12/20 0.41
GUCY1A2 P33402 12/20 0.41
GUCY1A1 Q02108 12/20 0.41
GUCY1B1 Q02153 12/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL15664140 0.91 GUCY1B2 (0.48) MAPK1SMN1; SMN2HCRTR1TP53MAPT
SCHEMBL15663756 0.90 SMN1; SMN2 (0.45) MAPK1SMN1; SMN2HCRTR1TP53MAPT
SCHEMBL17224948 0.89 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL15630775 0.86 MAPK1 (0.50) MAPK1SMN1; SMN2HCRTR1TP53MAPT
SCHEMBL15663898 0.83 MAPK1 (0.51) MAPK1SMN1; SMN2HCRTR1TP53MAPT
SCHEMBL15630778 0.83 SMN1; SMN2 (0.60) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL15812415 0.83 SMN1; SMN2 (0.42) MAPK1SMN1; SMN2HCRTR1TP53MAPT
SCHEMBL17224951 0.82 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL15663883 0.81 GUCY1B2 (0.48) SMN1; SMN2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL15664000 0.81 GUCY1B2 (0.49) MAPK1SMN1; SMN2HCRTR1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137463-A1 ENANTIOMERS OF THE N-(2-AMINO-5-FLUORO-2-METHYLPENTYL)-8-[(2,6-DIFLUOROBENZYL)OXY]-2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDE, AS WELL AS OF THE DI- AND TRIFLUORO DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-08 EP disclosed
US-20170057958-A1 ENANTIOMERS OF THE N-(2-AMINO-5-FLUORO-2-METHYLPENTYL)-8-[(2,6-DIFLUOROBENZYL)OXY]-2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDE, AS WELL AS OF THE DI- AND TRIFLUORO DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-02 US disclosed
US-20170057958-A1 ENANTIOMERS OF THE N-(2-AMINO-5-FLUORO-2-METHYLPENTYL)-8-[(2,6-DIFLUOROBENZYL)OXY]-2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDE, AS WELL AS OF THE DI- AND TRIFLUORO DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-02 US disclosed
US-20170057958-A1 ENANTIOMERS OF THE N-(2-AMINO-5-FLUORO-2-METHYLPENTYL)-8-[(2,6-DIFLUOROBENZYL)OXY]-2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDE, AS WELL AS OF THE DI- AND TRIFLUORO DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-02 US disclosed
WO-2015165930-A1 ENANTIOMERS OF THE N-(2-AMINO-5-FLUORO-2-METHYLPENTYL)-8-[(2,6-DIFLUOROBENZYL)OXY]-2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDE, AS WELL AS OF THE DI- AND TRIFLUORO DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-11-05 WO disclosed
WO-2015165930-A1 ENANTIOMERS OF THE N-(2-AMINO-5-FLUORO-2-METHYLPENTYL)-8-[(2,6-DIFLUOROBENZYL)OXY]-2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDE, AS WELL AS OF THE DI- AND TRIFLUORO DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-11-05 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 (1 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-20170057958-A1 ENANTIOMERS OF THE N-(2-AMINO-5-FLUORO-2-METHYLPENTYL)-8-[(2,6-DIFLUOROBENZYL)OXY]-2-METHYLIMIDAZO[1,2-A]PYRIDINE-3-CARBOXAMIDE, AS WELL AS OF THE DI- AND TRIFLUORO DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES AADAC, TNNT2, TNNI3 MAPK1 2263/4885SMN1; SMN2 1771/4885HCRTR1 2379/4885

“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.