SCHEMBL19013573

SCHEMBL19013573

COC(=O)C1CC(c2cc(NC(=O)OC(C)(C)C)ccn2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.40
▸ BCL2 P10415 3/20 0.38
▸ BECN1 Q14457 3/20 0.38
▸ CYP17A1 P05093 3/20 0.38
▸ SREBF2 Q12772 1/20 0.38
▸ MAPKAPK2 P49137 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ DGAT1 O75907 2/20 0.37
▸ ANO1 Q5XXA6 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ CHRM1 P11229 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
SCHEMBL18989458 0.77 ATR (0.39) ATRCYP17A1SREBF2CA12CA1
SCHEMBL18989493 0.76 ATR (0.38) ATRCYP17A1SREBF2CA12CA1
SCHEMBL18990033 0.75 HDAC4 (0.38) —
SCHEMBL17622060 0.73 ACVRL1 (0.60) —
SCHEMBL6383413 0.73 SORT1 (0.50) ATRCYP17A1SREBF2CA12CA1
SCHEMBL30293080 0.73 SMARCA2 (0.57) ATRCYP17A1MAPKAPK2CA12CA1
SCHEMBL16055308 0.73 SMARCA2 (0.57) ATRCYP17A1MAPKAPK2CA12CA1
SCHEMBL1501665 0.73 SMARCA2 (0.57) ATRCYP17A1MAPKAPK2CA12CA1
SCHEMBL29187149 0.72 AR (0.60) ATRCYP17A1SREBF2CA12CA1
SCHEMBL29383469 0.72 AR (0.56) ATRCYP17A1SREBF2CA12CA1

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 8 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-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
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 — — US disclosed
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2018-12-27 — — US disclosed
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 — — WO disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 — — 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 (5 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 ATR 1709/4885BCL2 3918/4885BECN1 2893/4885
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 ATR 4553/4885BCL2 3043/4885BECN1 2826/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 ATR 1709/4885BCL2 3918/4885BECN1 2893/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 ATR 1709/4885BCL2 3918/4885BECN1 2893/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 ATR 1709/4885BCL2 3918/4885BECN1 2893/4885

“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.

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