SCHEMBL18990675

SCHEMBL18990675

CCn1c(=O)n(Cc2cc3c(Cl)cccc3n2C(=O)O)c(=O)c2c1nc(C(C)=NO)n2C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ADORA1 P30542 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ ADORA2A P29274 3/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ MTHFD2 P13995 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18990673 1.00 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EADORA1HSD17B10
SCHEMBL18989964 0.93 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10HIF1A
SCHEMBL18989962 0.93 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10HIF1A
SCHEMBL18991073 0.92 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EADORA1HSD17B10
SCHEMBL18992425 0.89 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EADORA1HSD17B10
SCHEMBL29631960 0.89 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EADORA1HSD17B10
SCHEMBL18992424 0.89 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EADORA1HSD17B10
SCHEMBL19013792 0.89 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EADORA1HSD17B10
SCHEMBL18989987 0.86 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EADORA1HSD17B10
SCHEMBL18989714 0.84 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10HIF1A

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 ALDH1A1 260/4885HPGD 188/4885KDM4E 1934/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 ALDH1A1 260/4885HPGD 188/4885KDM4E 1934/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 ALDH1A1 260/4885HPGD 188/4885KDM4E 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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