SCHEMBL29631849

SCHEMBL29631849

CCOC(=O)Cc1nc2c(c(=O)n(Cc3cc4ccccc4n3C(=O)OC(C)(C)C)c(=O)n2C)n1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 7/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TSHR P16473 6/20 0.40
▸ NPSR1 Q6W5P4 4/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TNF P01375 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL18989734 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNAKDM4ESMN1; SMN2
SCHEMBL18990307 0.92 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNAKDM4ESMN1; SMN2
SCHEMBL29631930 0.92 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNAKDM4ESMN1; SMN2
SCHEMBL19013584 0.90 TSHR (0.44) ALDH1A1HSD17B10LMNAKDM4ESMN1; SMN2
SCHEMBL18989894 0.89 LMNA (0.47) ALDH1A1HSD17B10LMNAKDM4ESMN1; SMN2
SCHEMBL29631964 0.87 NR1H2 (0.43) ALDH1A1TP53
SCHEMBL19013577 0.87 NR1H2 (0.43) ALDH1A1TP53
SCHEMBL18989604 0.84 TNF (0.43) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL29631851 0.83 NR1H2 (0.37) —
SCHEMBL18989663 0.83 NR1H2 (0.37) —

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 ALDH1A1 260/4885HSD17B10 129/4885LMNA 3559/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 ALDH1A1 260/4885HSD17B10 129/4885LMNA 3559/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 ALDH1A1 260/4885HSD17B10 129/4885LMNA 3559/4885

“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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