SCHEMBL2229809

SCHEMBL2229809

CC(C)Oc1ccc(N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
CSNK2A1 P68400 2/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
TLR8 Q9NR97 1/20 0.39
P2RX3 P56373 2/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
POLB P06746 2/20 0.36
TRPV3 Q8NET8 1/20 0.36
NAAA Q02083 1/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 2/20 0.35
MCHR1 Q99705 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL25693050 0.86 ALDH1A1 (0.41) ALDH1A1GAAPOLBKDM4EUSP2
SCHEMBL31506350 0.84 GAA (0.42) ALDH1A1GAACSNK2A1TLR8ALOX5AP
SCHEMBL5019019 0.84 GAA (0.42) ALDH1A1GAACSNK2A1TLR8ALOX5AP
SCHEMBL30963168 0.84 GAA (0.37) ALDH1A1GAANAAAMEN1KMT2A
SCHEMBL14001625 0.82 RORC (0.40) ALDH1A1GAAP2RX3POLBMEN1
SCHEMBL11049484 0.82 KMT2A (0.40) ALDH1A1GAAPOLBKDM4EUSP2
SCHEMBL7325807 0.81 ALDH1A1 (0.50) ALDH1A1GAACSNK2A1TLR8POLB
SCHEMBL3513162 0.80 GAA (0.40) ALDH1A1GAAALOX5APFEN1POLB
SCHEMBL2348908 0.80 GAA (0.40) ALDH1A1GAAALOX5APFEN1POLB
SCHEMBL20226678 0.80 ALDH1A1 (0.37) ALDH1A1GAAPOLBKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12611404-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CHEMOCENTRYX, INC. (US) 2026-04-28 US disclosed
US-11760775-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. 2023-09-19 US disclosed
US-11760775-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. 2023-09-19 US disclosed
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-06-08 US disclosed
US-20220047575-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CHEMOCENTRYX, INC. 2022-02-17 US disclosed
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2021-02-11 US disclosed
EP-3738958-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR(9) ANTAGONISTS ChemoCentryx, Inc. (US) 2020-11-18 EP disclosed
EP-3738958-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR(9) ANTAGONISTS ChemoCentryx, Inc. (US) 2020-11-18 EP disclosed
US-10711032-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-20200197386-A1 Aza-Aryl 1H-Pyrazol-yl Benzene Sulfonamides CHEMOCENTRYX INC (US) 2020-06-25 US disclosed
EP-2604595-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY Shionogi&Co., Ltd. (JP) 2013-06-19 EP disclosed
EP-2604260-A1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2013-06-19 EP disclosed
EP-2519235-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
WO-2012020749-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY 塩野義製薬株式会社 (JP) 2012-02-16 WO disclosed
WO-2012020742-A1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 (JP) 2012-02-16 WO disclosed
US-20110319414-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2011-12-29 US disclosed
US-20110319414-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2011-12-29 US disclosed
EP-2399910-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2011-12-28 EP disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 WO disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 (8 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-12611404-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CCR1, CCR9, CCR8 ALDH1A1 2034/4885GAA 4632/4885CSNK2A1 596/4885
US-20110319414-A1 NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX5, P2RX2 ALDH1A1 1707/4885GAA 4590/4885CSNK2A1 1473/4885
US-20200197386-A1 Aza-Aryl 1H-Pyrazol-yl Benzene Sulfonamides CCR9, CCR1, CCR3 ALDH1A1 1216/4885GAA 2958/4885CSNK2A1 803/4885
US-10711032-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 ALDH1A1 4143/4885GAA 2555/4885CSNK2A1 1244/4885
US-20210040144-A1 STEROIDS AND PROTEIN-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 ALDH1A1 4113/4885GAA 2422/4885CSNK2A1 1244/4885
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS PIK3CA, AKT1, PIK3CB ALDH1A1 4698/4885GAA 1005/4885CSNK2A1 234/4885
US-20220047575-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CCR9, CCR1, CCR3 ALDH1A1 1144/4885GAA 2814/4885CSNK2A1 862/4885
US-11760775-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 ALDH1A1 4113/4885GAA 2422/4885CSNK2A1 1244/4885

“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.