SCHEMBL29631930

SCHEMBL29631930

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 5/20 0.39
▸ TNF P01375 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 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 1.00 ALDH1A1 (0.40) ALDH1A1HSD17B10USP2LMNATNF
SCHEMBL19013584 0.93 TSHR (0.44) ALDH1A1HSD17B10LMNATNFKDM4E
SCHEMBL29631849 0.92 ALDH1A1 (0.43) ALDH1A1HSD17B10USP2LMNATNF
SCHEMBL18989734 0.92 ALDH1A1 (0.43) ALDH1A1HSD17B10USP2LMNATNF
SCHEMBL18990681 0.89 LMNA (0.43) ALDH1A1HSD17B10USP2LMNATNF
SCHEMBL18989858 0.88 ALDH1A1 (0.36) ALDH1A1LMNAALOX15L3MBTL1SMN1; SMN2
SCHEMBL29631985 0.88 ALDH1A1 (0.36) ALDH1A1LMNAALOX15L3MBTL1SMN1; SMN2
SCHEMBL18989959 0.85 TNF (0.44) ALDH1A1LMNATNFKDM4EPOLB
SCHEMBL29631823 0.85 TNF (0.44) ALDH1A1LMNATNFKDM4EPOLB
SCHEMBL19013881 0.85 POLB (0.40) ALDH1A1LMNAPOLBTSHRNPSR1

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 129/4885USP2 1308/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 ALDH1A1 260/4885HSD17B10 129/4885USP2 1308/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 ALDH1A1 260/4885HSD17B10 129/4885USP2 1308/4885

“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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