SCHEMBL29631979

SCHEMBL29631979

COC(=O)c1cc2ccncc2n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.39
AURKA O14965 1/20 0.39
CDK2 P24941 1/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
NAMPT P43490 3/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.35
NR1H3 Q13133 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
SCHEMBL5951286 1.00 NR1H2 (0.39) NR1H2AURKACDK2GABRG2GABRB3
SCHEMBL28679819 0.87 NR1H2 (0.38) NR1H2AURKACDK2GABRG2GABRB3
SCHEMBL29900579 0.87 NOD2 (0.44) NR1H2AURKACDK2GABRG2GABRB3
SCHEMBL978413 0.87 NOD2 (0.44) NR1H2AURKACDK2GABRG2GABRB3
SCHEMBL12685162 0.82 NR1H2 (0.39) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL18537881 0.82 NR1H2 (0.53) NR1H2NR1H3
SCHEMBL31758488 0.81 GABRG2 (0.43) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL30194606 0.81 NR1H2 (0.39) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL19013607 0.80 NR1H2 (0.45) NR1H2AURKACDK2KDM4EGLA
SCHEMBL3024003 0.80 NR1H2 (0.45) NR1H2AURKACDK2L3MBTL1NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 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 (3 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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 NR1H2 2475/4885AURKA 2864/4885CDK2 1064/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 NR1H2 2475/4885AURKA 2864/4885CDK2 1064/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 NR1H2 2475/4885AURKA 2864/4885CDK2 1064/4885

“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.