SCHEMBL18990119

SCHEMBL18990119

Cn1c(Br)nc2c1c(=O)n(Cc1cc3ccc(Cl)cc3n1C(=O)OC(C)(C)C)c(=O)n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TNF P01375 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL29631971 1.00 POLB (0.44) POLBTSHRTNFALDH1A1TP53
SCHEMBL18990140 0.93 POLB (0.44) POLBTSHRTNFALDH1A1TP53
SCHEMBL29632052 0.93 POLB (0.44) POLBTSHRTNFALDH1A1TP53
SCHEMBL18990795 0.90 TNF (0.43) POLBTSHRTNFALDH1A1HPGD
SCHEMBL18989604 0.89 TNF (0.43) TSHRTNFALDH1A1HPGDHIF1A
SCHEMBL18989877 0.86 TNF (0.41) POLBTSHRTNFALDH1A1HPGD
SCHEMBL18989959 0.86 TNF (0.44) POLBTSHRTNFALDH1A1HPGD
SCHEMBL29631823 0.86 TNF (0.44) POLBTSHRTNFALDH1A1HPGD
SCHEMBL18989921 0.85 CYP2C9 (0.46) POLBTSHRTNFALDH1A1TP53
SCHEMBL29631918 0.85 CYP2C9 (0.46) POLBTSHRTNFALDH1A1TP53

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 8 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
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
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 — — WO disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 — — 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 (5 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 POLB 1467/4885TSHR 4484/4885TNF 3037/4885
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 POLB 1030/4885TSHR 4649/4885TNF 3826/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 POLB 1467/4885TSHR 4484/4885TNF 3037/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 POLB 1467/4885TSHR 4484/4885TNF 3037/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 POLB 1467/4885TSHR 4484/4885TNF 3037/4885

“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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