Sugi Predict

Sugi Predict / Compounds / SCHEMBL996391

SCHEMBL996391

SCHEMBL996391

Nc1cc(-c2cc([N+](=O)[O-])c(N)nc2-c2ccccc2F)c(F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ EGFR P00533 2/20 0.39
▸ ALOX5AP P20292 2/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ MGMT P16455 1/20 0.34
▸ ADORA2A P29274 2/20 0.33
▸ DHFR P00374 1/20 0.33
▸ EIF4E P06730 1/20 0.33
▸ SMN1; SMN2 Q16637 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

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
SCHEMBL994806 0.90 DHFR (0.38) MAPTEGFRALOX5APFEN1PIN1
SCHEMBL996390 0.84 ALDH1A1 (0.40) MAPTEGFRMGAMGAASI
SCHEMBL995612 0.83 MAPT (0.39) MAPTPIN1MGAMGAASI
SCHEMBL995611 0.81 MAPT (0.39) MAPTPIN1MGAMGAASI
SCHEMBL3788909 0.79 ADORA2A (0.32) EGFRADORA2ACYP2C19
SCHEMBL994805 0.79 DHFR (0.36) MAPTEGFRPIN1MGAMGAA
SCHEMBL3787423 0.79 AAK1 (0.38) EGFRCYP1A2CYP3A4CYP2C9
SCHEMBL995894 0.78 CTSB (0.44) MAPTMGAMGAASIMGAM2
SCHEMBL3788901 0.71 ADORA2B (0.37) MAPTADORA2ADHFRALDH1A1CYP3A4
SCHEMBL21617737 0.71 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 4650/4885EGFR 1588/4885ALOX5AP 206/4885

“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.