SCHEMBL19013584

SCHEMBL19013584

CCOC(=O)Cc1nc2c(c(=O)n(Cc3cc4cc(Cl)ccc4n3C(=O)OC(C)(C)C)c(=O)n2C)n1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 5/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TNF P01375 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ ALOX15 P16050 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
SCHEMBL18990307 0.93 ALDH1A1 (0.40) TSHRPOLBALDH1A1HSD17B10LMNA
SCHEMBL29631930 0.93 ALDH1A1 (0.40) TSHRPOLBALDH1A1HSD17B10LMNA
SCHEMBL19013881 0.92 POLB (0.40) TSHRPOLBALDH1A1LMNATP53
SCHEMBL29631849 0.90 ALDH1A1 (0.43) TSHRPOLBALDH1A1HSD17B10LMNA
SCHEMBL18989734 0.90 ALDH1A1 (0.43) TSHRPOLBALDH1A1HSD17B10LMNA
SCHEMBL18990107 0.90 TSHR (0.47) TSHRPOLBALDH1A1HSD17B10LMNA
SCHEMBL18990142 0.87 TP53 (0.40) POLBALDH1A1LMNASMN1; SMN2TP53
SCHEMBL18990140 0.85 POLB (0.44) TSHRPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL29632052 0.85 POLB (0.44) TSHRPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL18990284 0.83 POLB (0.37) POLBALDH1A1LMNASMN1; SMN2TP53

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 4 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
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 — — 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 (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 TSHR 4484/4885POLB 1467/4885ALDH1A1 260/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 TSHR 4484/4885POLB 1467/4885ALDH1A1 260/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 TSHR 4484/4885POLB 1467/4885ALDH1A1 260/4885

“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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