SCHEMBL18990180

SCHEMBL18990180

Cn1c(CCO)nc2c1c(=O)n(Cc1cc3ccccc3n1C(=O)O)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL18989689 0.90 BRAF (0.39) BRAFPIK3CGALDH1A1MEN1POLB
SCHEMBL18991131 0.88 TP53 (0.43) BRAFPIK3CGALDH1A1POLBHIF1A
SCHEMBL29631964 0.87 NR1H2 (0.43) BRAFPIK3CGALDH1A1HIF1ATP53
SCHEMBL19013577 0.87 NR1H2 (0.43) BRAFPIK3CGALDH1A1HIF1ATP53
SCHEMBL18990135 0.87 MEN1 (0.38) BRAFPIK3CGALDH1A1MEN1POLB
SCHEMBL18990394 0.85 RAB9A (0.47) ALDH1A1MEN1POLBKMT2ACTDSP1
SCHEMBL18989894 0.84 LMNA (0.47) ALDH1A1POLBMAPTTP53ALOX15
SCHEMBL29631985 0.78 ALDH1A1 (0.36) BRAFPIK3CGALDH1A1GAATP53
SCHEMBL18989858 0.78 ALDH1A1 (0.36) BRAFPIK3CGALDH1A1GAATP53
SCHEMBL18989917 0.77 MAOB (0.36) ALDH1A1MEN1POLBKMT2ACTDSP1

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 BRAF 2691/4885PIK3CG 3536/4885ALDH1A1 260/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 BRAF 2691/4885PIK3CG 3536/4885ALDH1A1 260/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 BRAF 2691/4885PIK3CG 3536/4885ALDH1A1 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.

Send feedback