SCHEMBL29632000

SCHEMBL29632000

COC(=O)/C=C/c1nc(N)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TTR P02766 1/20 0.40
APP P05067 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 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
SCHEMBL18989668 1.00 CA12 (0.42) CA12CA1CA2TYRCA7
SCHEMBL29632016 0.83 CA12 (0.41) CA12CA1CA2TYRCA7
SCHEMBL18989509 0.83 CA12 (0.41) CA12CA1CA2TYRCA7
SCHEMBL18989575 0.82 KDM4E (0.43) CA12CA1CA2TYRCA7
SCHEMBL18989576 0.82 KDM4E (0.43) CA12CA1CA2TYRCA7
SCHEMBL3631323 0.79 ALDH1A1 (0.46) CA12CA1CA2TYRCA7
SCHEMBL25932182 0.75 KDM4E (0.43) CA12CA1CA2TYRCA7
SCHEMBL31515747 0.74 KDM4E (0.42) CA12CA1CA2TYRCA7
SCHEMBL38658314 0.74 KDM4E (0.42) CA12CA1CA2TYRCA7
SCHEMBL2842974 0.73 GRM4 (0.47) CA12CA1CA2TYRCA7

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 CA12 3736/4885CA1 3764/4885CA2 1828/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 CA12 3736/4885CA1 3764/4885CA2 1828/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 CA12 3736/4885CA1 3764/4885CA2 1828/4885

“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.