SCHEMBL23728644

SCHEMBL23728644

CCOC(=O)c1cnc2ccc(Cl)cn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
GAA P10253 4/20 0.52
KDM4E B2RXH2 3/20 0.52
GLA P06280 2/20 0.52
IDO1 P14902 1/20 0.50
PIK3CD O00329 1/20 0.48
PIK3R1 P27986 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL312448 0.90 PIK3CD (0.55) TGFBR1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL14108205 0.86 KDM4E (0.69) TGFBR1CYP1A2CYP2C9GAAKDM4E
SCHEMBL4819639 0.83 TGFBR1 (0.54) TGFBR1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL16691118 0.83 TGFBR1 (0.54) TGFBR1CYP1A2CYP2C19GAAKDM4E
SCHEMBL9941410 0.83 TGFBR1 (0.61) TGFBR1GAAKDM4EGLAPIK3CD
SCHEMBL12928396 0.83 KDM4E (0.55) TGFBR1CYP1A2CYP2C19GAAKDM4E
SCHEMBL1649636 0.83 TGFBR1 (0.54) TGFBR1GAAKDM4EGLAIDO1
SCHEMBL11640185 0.83 KDM4E (0.77) CYP1A2CYP2C9CYP2C19GAAKDM4E
SCHEMBL5030840 0.82 TGFBR1 (0.53) TGFBR1CYP1A2CYP2C19GAAKDM4E
SCHEMBL26626620 0.82 TGFBR1 (0.58) TGFBR1CYP1A2CYP2C9CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RETUNE PHARMA, INC. 2025-10-09 US disclosed
EP-4514799-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MRJA Therapeutics, Inc. (US) 2025-03-05 EP disclosed
CN-119384421-A Certain chemical entities, compositions and methods 沐尔佳治疗公司 2025-01-28 CN disclosed
WO-2023212612-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN SHAWN (US) 2023-11-02 WO disclosed
WO-2023212612-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN SHAWN (US) 2023-11-02 WO disclosed
US-20230122219-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-20 US disclosed
US-20230122219-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-20 US disclosed
EP-4100004-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 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 (2 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-20230122219-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TGFBR1 1014/4885CYP1A2 3570/4885CYP2C9 3608/4885
US-20250313556-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIT, PRKCH, PRKCB TGFBR1 2522/4885CYP1A2 4079/4885CYP2C9 4068/4885

“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.