SCHEMBL18990158

SCHEMBL18990158

Cn1c(N[C@H]2C[C@@H](O)C2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 1/20 0.86
▸ MAPT P10636 8/20 0.64
▸ TP53 P04637 3/20 0.64
▸ HIF1A Q16665 3/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ TSHR P16473 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ STAT6 P42226 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ HPGD P15428 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ PKM P14618 2/20 0.59
▸ KMT2A Q03164 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ CYP1A2 P05177 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP2D6 P10635 1/20 0.51

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
SCHEMBL18990160 1.00 MTHFD2 (0.86) MTHFD2MAPTTP53HIF1ASMN1; SMN2
SCHEMBL19014028 0.94 MTHFD2 (0.90) MTHFD2MAPTTP53HIF1ASMN1; SMN2
SCHEMBL20592272 0.94 MTHFD2 (0.90) MTHFD2MAPTTP53HIF1ASMN1; SMN2
SCHEMBL20592242 0.94 MTHFD2 (0.90) MTHFD2MAPTTP53HIF1ASMN1; SMN2
SCHEMBL18990177 0.94 MTHFD2 (0.90) MTHFD2MAPTTP53HIF1ASMN1; SMN2
SCHEMBL19013797 0.94 MTHFD2 (0.90) MTHFD2MAPTTP53HIF1ASMN1; SMN2
SCHEMBL18990546 0.94 MTHFD2 (0.90) MTHFD2MAPTTP53HIF1ASMN1; SMN2
SCHEMBL19013796 0.94 MTHFD2 (0.90) MTHFD2MAPTTP53HIF1ASMN1; SMN2
SCHEMBL18990260 0.93 MTHFD2 (1.00) MTHFD2MAPTTP53HIF1ASMN1; SMN2
SCHEMBL20592154 0.93 MTHFD2 (1.00) MTHFD2MAPTTP53HIF1ASMN1; SMN2

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 MTHFD2 1/4885MAPT 1028/4885TP53 2424/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 MTHFD2 1/4885MAPT 1028/4885TP53 2424/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 MTHFD2 1/4885MAPT 1028/4885TP53 2424/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 MTHFD2 1/4885MAPT 1028/4885TP53 2424/4885

“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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