SCHEMBL29631964

SCHEMBL29631964

Cn1c(CCO)nc2c1c(=O)n(Cc1cc3ccccc3n1C(=O)OC(C)(C)C)c(=O)n2C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 9/20 0.43
▸ NR1H3 Q13133 3/20 0.39
▸ MAP4K1 Q92918 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TRPV3 Q8NET8 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
SCHEMBL19013577 1.00 NR1H2 (0.43) NR1H2NR1H3MAP4K1BRAFPIK3CG
SCHEMBL29631985 0.91 ALDH1A1 (0.36) NR1H2BRAFPIK3CGTP53ALDH1A1
SCHEMBL18989858 0.91 ALDH1A1 (0.36) NR1H2BRAFPIK3CGTP53ALDH1A1
SCHEMBL18990142 0.89 TP53 (0.40) TP53ALDH1A1HPGDHIF1A
SCHEMBL29631851 0.89 NR1H2 (0.37) NR1H2NR1H3MAP4K1CA12CA9
SCHEMBL18989663 0.89 NR1H2 (0.37) NR1H2NR1H3MAP4K1CA12CA9
SCHEMBL18990180 0.87 BRAF (0.43) BRAFPIK3CGTP53ALDH1A1HPGD
SCHEMBL18990001 0.87 ALDH1A1 (0.44) TP53ALDH1A1
SCHEMBL18989604 0.87 TNF (0.43) NR1H2NR1H3ALDH1A1HPGDHIF1A
SCHEMBL29631849 0.87 ALDH1A1 (0.43) TP53ALDH1A1

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 2475/4885NR1H3 2703/4885MAP4K1 3755/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 NR1H2 2475/4885NR1H3 2703/4885MAP4K1 3755/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 NR1H2 2475/4885NR1H3 2703/4885MAP4K1 3755/4885

“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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