SCHEMBL29631823

SCHEMBL29631823

Cc1ccc2c(c1)cc(Cn1c(=O)c3c(nc(Br)n3C)n(C)c1=O)n2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.44
▸ LMNA P02545 6/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ HPGD P15428 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PRNP P04156 1/20 0.35
▸ GRM2 Q14416 1/20 0.35

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
SCHEMBL18989959 1.00 TNF (0.44) TNFLMNAKDM4EALDH1A1TSHR
SCHEMBL18990795 0.94 TNF (0.43) TNFLMNAKDM4EALDH1A1TSHR
SCHEMBL29632052 0.91 POLB (0.44) TNFLMNAKDM4EALDH1A1TSHR
SCHEMBL18990140 0.91 POLB (0.44) TNFLMNAKDM4EALDH1A1TSHR
SCHEMBL29631933 0.91 LMNA (0.42) TNFLMNAALDH1A1TSHRPOLB
SCHEMBL18990165 0.91 LMNA (0.42) TNFLMNAALDH1A1TSHRPOLB
SCHEMBL18989604 0.90 TNF (0.43) TNFLMNAKDM4EALDH1A1TSHR
SCHEMBL18989721 0.88 TNF (0.41) TNFLMNAKDM4EALDH1A1TSHR
SCHEMBL18989858 0.87 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2NPSR1GRM2
SCHEMBL29631985 0.87 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2NPSR1GRM2

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 TNF 3037/4885LMNA 3559/4885KDM4E 1934/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 TNF 3037/4885LMNA 3559/4885KDM4E 1934/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 TNF 3037/4885LMNA 3559/4885KDM4E 1934/4885

“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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