SCHEMBL18989727

SCHEMBL18989727

Cn1c(CCOS(C)(=O)=O)nc2c1c(=O)n(Cc1cc3cc(Cl)ccc3n1C(=O)O)c(=O)n2C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.40
▸ MAOB P27338 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ LMNA P02545 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ HIF1A Q16665 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ STAT6 P42226 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MTHFD2 P13995 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
SCHEMBL18989917 0.92 MAOB (0.36) MAOBPOLBGAAHTTMAOA
SCHEMBL18990284 0.90 POLB (0.37) TP53MAOBPOLBGAAHTT
SCHEMBL20592343 0.90 MAOB (0.43) TP53MAOBPOLBMAOALMNA
SCHEMBL18990135 0.89 MEN1 (0.38) TP53MAOBPOLBGAAMAOA
SCHEMBL18991131 0.87 TP53 (0.43) TP53MAOBPOLBGAAHTT
SCHEMBL18990107 0.82 TSHR (0.47) TP53POLBLMNAMAPTALDH1A1
SCHEMBL18991062 0.82 ALDH1A1 (0.34) MAOBGAAHTTMAOALMNA
SCHEMBL29631905 0.82 ALDH1A1 (0.34) MAOBGAAHTTMAOALMNA
SCHEMBL29631851 0.79 NR1H2 (0.37) —
SCHEMBL18989663 0.79 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2018-12-27 — — US disclosed
EP-3389664-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF Raze Therapeutics Inc. (US) 2018-10-24 — — EP 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-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 TP53 2424/4885MAOB 276/4885POLB 1467/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 TP53 2424/4885MAOB 276/4885POLB 1467/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 TP53 2424/4885MAOB 276/4885POLB 1467/4885

“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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