Sugi Predict

Sugi Predict / Compounds / SCHEMBL994806

SCHEMBL994806

SCHEMBL994806

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ PIN1 Q13526 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ PDE7A Q13946 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL996391 0.90 MAPT (0.40) DHFRMAPTPIN1EGFRALOX5AP
SCHEMBL994805 0.85 DHFR (0.36) DHFRMAPTPIN1EGFRPOLB
SCHEMBL996390 0.79 ALDH1A1 (0.40) MAPTEGFRMGAMGAASI
SCHEMBL3789456 0.79 DHFR (0.43) DHFRMAPTPIN1EGFRFGFR1
SCHEMBL995611 0.78 MAPT (0.39) MAPTPIN1MAPK1DPP4MGAM
SCHEMBL995612 0.78 MAPT (0.39) DHFRMAPTPIN1MAPK1DPP4
SCHEMBL3790895 0.76 DHFR (0.41) DHFRMAPTPIN1EGFRFGFR1
SCHEMBL995894 0.75 CTSB (0.44) MAPTMAPK1DPP4MGAMGAA
SCHEMBL3791743 0.73 DHFR (0.45) DHFRMAPTFGFR1SRCPDE7A
SCHEMBL3788981 0.72 DHFR (0.41) DHFRMAPTEGFRPDE7APOLB

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 DHFR 1203/4885MAPT 4650/4885PIN1 4113/4885

“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.