SCHEMBL425116

SCHEMBL425116

Cn1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
IP6K1 Q92551 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ACVR1 Q04771 2/20 0.44
EGFR P00533 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.41
TGFBR1 P36897 4/20 0.40
ACVR1B P36896 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
DOT1L Q8TEK3 1/20 0.36
BRAF P15056 1/20 0.36
DRD2 P14416 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL29843611 1.00 L3MBTL1 (0.52) L3MBTL1IDO1TDO2IP6K1KDM4E
SCHEMBL14658864 0.89 L3MBTL1 (0.43) L3MBTL1IDO1TDO2IP6K1KDM4E
SCHEMBL30820850 0.89 L3MBTL1 (0.43) L3MBTL1IDO1TDO2IP6K1KDM4E
SCHEMBL29520198 0.80 DYRK1A (0.42) IDO1TDO2EGFRLPLLIPG
SCHEMBL13028373 0.80 DYRK1A (0.42) IDO1TDO2EGFRLPLLIPG
SCHEMBL3261262 0.78 IDO1 (0.48) IDO1TDO2EGFRPRMT5WDR77
SCHEMBL29843596 0.78 ACVR1 (0.49) L3MBTL1IDO1TDO2KDM4EACVR1
SCHEMBL29520345 0.77 GRM5 (0.42) KDM4EALDH1A1HPGDHSD17B10LPL
SCHEMBL13028375 0.77 GRM5 (0.42) KDM4EALDH1A1HPGDHSD17B10LPL
SCHEMBL19356377 0.75 IDO1 (0.42) IDO1TDO2EGFRPRMT5WDR77

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3840748-B1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS LLC (US) 2026-04-15 EP disclosed
US-12077548-B2 Substituted imidazoles for the inhibition of TGF-β and methods of treatment Clavius Pharmaceuticals, LLC. (US) 2024-09-03 US disclosed
WO-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed
WO-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed
US-20220064187-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT Clavius Pharmaceuticals, LLC. 2022-03-03 US disclosed
US-20220064187-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT Clavius Pharmaceuticals, LLC. 2022-03-03 US disclosed
US-11124509-B2 Tri-substituted imidazoles for the inhibition of TGF beta and methods of treatment Clavius Pharmaceuticals, LLC. (US) 2021-09-21 US disclosed
EP-3840748-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT Clavius Pharmaceuticals, LLC (US) 2021-06-30 EP disclosed
US-11046699-B2 Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses RAPT THERAPEUTICS, INC. (US) 2021-06-29 US disclosed
US-11046699-B2 Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses RAPT THERAPEUTICS, INC. (US) 2021-06-29 US disclosed
US-20200239462-A1 TRI-SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC 2020-07-30 US disclosed
WO-2020041562-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC (US) 2020-02-27 WO disclosed
WO-2020041562-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC (US) 2020-02-27 WO disclosed
WO-2019005241-A1 TRI-SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC (US) 2019-01-03 WO disclosed
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
WO-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (6 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-12077548-B2 Substituted imidazoles for the inhibition of TGF-β and methods of treatment TGFB1, TGFBR1, TGFB2 L3MBTL1 1657/4885IDO1 70/4885TDO2 2995/4885
US-11046699-B2 Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses GLS, GLS2, TK2 L3MBTL1 3196/4885IDO1 1640/4885TDO2 3272/4885
US-11124509-B2 Tri-substituted imidazoles for the inhibition of TGF beta and methods of treatment TGFB1, TGFBR1, TGFB2 L3MBTL1 2519/4885IDO1 317/4885TDO2 2625/4885
US-20220064187-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT TGFB1, TGFBR1, TGFB2 L3MBTL1 1536/4885IDO1 57/4885TDO2 2864/4885
US-20200239462-A1 TRI-SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF BETA AND METHODS OF TREATMENT TGFB1, TGFBR1, TGFB2 L3MBTL1 2519/4885IDO1 317/4885TDO2 2625/4885
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 L3MBTL1 4869/4885IDO1 4243/4885TDO2 4435/4885

“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.