SCHEMBL995601

SCHEMBL995601

Nc1cc(-c2ccncc2Cl)c(-c2ccccc2F)nc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 2/20 0.37
LIMK1 P53667 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
ADORA2A P29274 4/20 0.36
ADORA1 P30542 2/20 0.36
PIM3 Q86V86 4/20 0.36
PIM2 Q9P1W9 4/20 0.36
PIM1 P11309 3/20 0.36
ADORA2B P29275 1/20 0.35
RPS6KA3 P51812 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 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
SCHEMBL994808 0.88 KDM4E (0.43) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL3793349 0.86 GAA (0.47) IDO1GAAKDM4EALDH1A1HPGD
SCHEMBL3791196 0.85 GAA (0.41) IDO1GAADPP4ADORA2AADORA2B
SCHEMBL994805 0.83 DHFR (0.36) IDO1GAAKDM4EALDH1A1GLA
SCHEMBL3788913 0.80 GAA (0.43) IDO1GAAKDM4EALDH1A1HPGD
SCHEMBL3786756 0.79 ADORA2A (0.50) GAAKDM4EGLAADORA2AADORA1
SCHEMBL3796566 0.77 GAA (0.43) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL995482 0.77 ADORA2A (0.43) GAAKDM4EALDH1A1GLAHPGD
SCHEMBL995602 0.76 DPP4 (0.37) ALDH1A1DPP4ADORA2AADORA1
SCHEMBL18039117 0.75 NUDT1 (0.43) GAADPP4ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125804-B1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-B]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-01-26 EP disclosed
US-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-04-29 US disclosed
EP-2125804-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZOÝ4,5-B¨PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS Almirall, S.A. (ES) 2009-12-02 EP disclosed
WO-2008080461-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-B]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2008-07-10 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-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 IDO1 684/4885GAA 2636/4885KDM4E 3314/4885

“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.