Sugi Predict

Sugi Predict / Compounds / SCHEMBL1099448

SCHEMBL1099448

SCHEMBL1099448

COc1cc(N)c(C(C)C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ GFER P55789 1/20 0.55
▸ P2RX3 P56373 7/20 0.46
▸ P2RX2 Q9UBL9 7/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MGAM O43451 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR2A P28223 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
SCHEMBL29631745 0.89 GAA (0.58) GAAPOLBGFERP2RX3P2RX2
SCHEMBL5648795 0.84 GAA (0.63) GAAPOLBGFERP2RX3P2RX2
SCHEMBL19364117 0.84 GAA (0.62) GAAPOLBGFERP2RX3P2RX2
SCHEMBL22897597 0.84 POLB (0.49) GAAPOLBGFERP2RX3P2RX2
SCHEMBL13816288 0.83 GAA (0.50) GAAPOLBGFERP2RX3P2RX2
SCHEMBL19254874 0.83 GAA (0.48) GAAPOLBGFERP2RX3P2RX2
SCHEMBL20755697 0.82 P2RX3 (0.55) GAAPOLBGFERP2RX3P2RX2
SCHEMBL3471909 0.80 ALDH1A1 (0.43) GAAPOLBGFERP2RX3P2RX2
SCHEMBL19407796 0.79 HTR2A (0.45) GAAPOLBGFERP2RX3P2RX2
SCHEMBL14200081 0.78 GAA (0.57) GAAPOLBGFERP2RX3P2RX2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 — — US disclosed
EP-3433258-B1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC (US) 2023-07-19 — — EP disclosed
EP-3430000-B1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC (US) 2022-12-28 — — EP disclosed
US-11230532-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2022-01-25 — — US disclosed
US-10822311-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-11-03 — — US disclosed
US-20200239421-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2020-07-30 — — US disclosed
US-10662162-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-05-26 — — US disclosed
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2019-02-21 — — US disclosed
WO-2017165255-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2017-09-28 — — WO disclosed
WO-2017160569-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2017-09-21 — — WO disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 — — US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 — — US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 — — US disclosed
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 — — EP disclosed
CN-102264701-A Dihydropyridone ureas as P2X7 modulators — 2011-11-30 — — CN disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 — — WO disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 — — WO disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 — — US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 — — US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 — — US 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 (7 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-11230532-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX7, P2RX1 GAA 1635/4885POLB 2344/4885GFER 2211/4885
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 GAA 4302/4885POLB 4130/4885GFER 2337/4885
US-10662162-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX7, P2RX1 GAA 1650/4885POLB 2200/4885GFER 2239/4885
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 GAA 4846/4885POLB 2388/4885GFER 2589/4885
US-10822311-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX5, P2RX4 GAA 1255/4885POLB 1896/4885GFER 2281/4885
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR P2RX3, P2RX7, P2RX1 GAA 1650/4885POLB 2200/4885GFER 2239/4885
US-20200239421-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR P2RX3, P2RX7, P2RX1 GAA 1635/4885POLB 2344/4885GFER 2211/4885

“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.