SCHEMBL30041230

SCHEMBL30041230

CC1(C)OB(c2ccc3nn(CC#N)cc3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
LPL P06858 10/20 0.35
LIPG Q9Y5X9 10/20 0.35
FFAR1 O14842 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
SNCA P37840 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
EGFR P00533 2/20 0.32
F11 P03951 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL17113584 0.84 LPL (0.41) ESR2LPLLIPGFFAR1IDO1
SCHEMBL30928610 0.83 IDO1 (0.39) ESR2LPLLIPGFFAR1IDO1
SCHEMBL31394882 0.82 LPL (0.43) ESR2LPLLIPGFFAR1IDO1
SCHEMBL23633173 0.81 LPL (0.36) ESR2LPLLIPGFFAR1IDO1
SCHEMBL23638441 0.81 FFAR1 (0.39) LPLLIPGFFAR1IDO1TDO2
SCHEMBL31394025 0.80 IDO1 (0.39) ESR2LPLLIPGFFAR1IDO1
SCHEMBL23529729 0.79 SNCA (0.38) ESR2LPLLIPGFFAR1IDO1
SCHEMBL17673631 0.79 SNCA (0.36) ESR2LPLLIPGFFAR1IDO1
SCHEMBL23546464 0.79 LPL (0.35) ESR2LPLLIPGFFAR1IDO1
SCHEMBL5076837 0.79 LIPG (0.42) LPLLIPGIDO1TDO2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287063-A1 METHIONINE ADENOSYLTRANSFERASE 2A INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2024-08-29 US disclosed
WO-2022253242-A1 METHIONINE ADENOSYLTRANSFERASE 2A INHIBITOR 南京正大天晴制药有限公司 2022-12-08 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-20240287063-A1 METHIONINE ADENOSYLTRANSFERASE 2A INHIBITOR MAT2A, MAT2B, MAT1A ESR2 2786/4885LPL 2855/4885LIPG 2546/4885

“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.