SCHEMBL29632082

SCHEMBL29632082

CCOC(=O)C1CC(c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ LMNA P02545 4/20 0.56
▸ STAT6 P42226 1/20 0.56
▸ MTHFD2 P13995 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.54
▸ TSHR P16473 3/20 0.54
▸ HTT P42858 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ MAPT P10636 7/20 0.53
▸ TP53 P04637 2/20 0.53
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ HIF1A Q16665 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ USP2 O75604 1/20 0.48

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
SCHEMBL18990532 0.89 SMN1; SMN2 (0.59) SMN1; SMN2LMNASTAT6MTHFD2ALDH1A1
SCHEMBL18990815 0.87 MTHFD2 (0.71) SMN1; SMN2LMNASTAT6MTHFD2ALDH1A1
SCHEMBL18990813 0.87 MTHFD2 (0.71) SMN1; SMN2LMNASTAT6MTHFD2ALDH1A1
SCHEMBL29631872 0.87 MTHFD2 (0.71) SMN1; SMN2LMNASTAT6MTHFD2ALDH1A1
SCHEMBL20592207 0.84 SMN1; SMN2 (0.60) SMN1; SMN2LMNASTAT6MTHFD2ALDH1A1
SCHEMBL19013907 0.83 MTHFD2 (0.73) SMN1; SMN2LMNASTAT6MTHFD2ALDH1A1
SCHEMBL19013230 0.83 MTHFD2 (0.73) SMN1; SMN2LMNASTAT6MTHFD2ALDH1A1
SCHEMBL18989793 0.83 MTHFD2 (0.73) SMN1; SMN2LMNASTAT6MTHFD2ALDH1A1
SCHEMBL19012421 0.83 MTHFD2 (0.73) SMN1; SMN2LMNASTAT6MTHFD2ALDH1A1
SCHEMBL18989610 0.79 MAPT (0.57) SMN1; SMN2LMNASTAT6MTHFD2ALDH1A1

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 SMN1; SMN2 1247/4885LMNA 3559/4885STAT6 4727/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 SMN1; SMN2 1247/4885LMNA 3559/4885STAT6 4727/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 SMN1; SMN2 1247/4885LMNA 3559/4885STAT6 4727/4885

“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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