Sugi Predict

Sugi Predict / Compounds / SCHEMBL995612

SCHEMBL995612

SCHEMBL995612

Nc1nc(-c2ccccc2F)c(-c2c(F)cnc(N)c2F)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ PIN1 Q13526 1/20 0.34
▸ ATR Q13535 1/20 0.33
▸ MGMT P16455 1/20 0.33
▸ EIF4E P06730 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ STAT6 P42226 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL995611 0.87 MAPT (0.39) MAPTPIN1MGMTEIF4ESMN1; SMN2
SCHEMBL996391 0.83 MAPT (0.40) MAPTPIN1MGMTEIF4EDHFR
SCHEMBL996390 0.78 ALDH1A1 (0.40) MAPTSMN1; SMN2ADORA2AALDH1A1MGAM
SCHEMBL994806 0.78 DHFR (0.38) MAPTPIN1MGMTDHFRMAPK1
SCHEMBL995894 0.77 CTSB (0.44) MAPTMGMTEIF4ESMN1; SMN2MAPK1
SCHEMBL994805 0.76 DHFR (0.36) MAPTPIN1DHFRSMN1; SMN2MAPK1
SCHEMBL994809 0.72 ADORA2A (0.38) ATRADORA2ANPC1HTR5ADPP4
SCHEMBL13398488 0.71 HSD17B10 (0.39) MAPTSMN1; SMN2MAPK1ADORA2AALDH1A1
SCHEMBL3796932 0.70 ADORA2B (0.42) MAPTSMN1; SMN2MAPK1ADORA2AALDH1A1
SCHEMBL21617737 0.70 MAPT (0.45) MAPTPIN1MGMTEIF4ESMN1; SMN2

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 MAPT 4650/4885PIN1 4113/4885ATR 4416/4885

“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.