SCHEMBL19013255

SCHEMBL19013255

COC(=O)C1CCCC(Nc2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2CCO)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 1/20 0.61
▸ PDE5A O76074 8/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ STAT6 P42226 1/20 0.49
▸ MAPT P10636 5/20 0.49
▸ TP53 P04637 3/20 0.49
▸ TSHR P16473 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HIF1A Q16665 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL18990116 0.93 MTHFD2 (0.58) MTHFD2PDE5ASMN1; SMN2LMNASTAT6
SCHEMBL18989781 0.92 MTHFD2 (0.62) MTHFD2PDE5ASMN1; SMN2LMNASTAT6
SCHEMBL19013108 0.92 MTHFD2 (0.72) MTHFD2PDE5ASMN1; SMN2LMNASTAT6
SCHEMBL18989839 0.92 MTHFD2 (0.72) MTHFD2PDE5ASMN1; SMN2LMNASTAT6
SCHEMBL29631948 0.92 MTHFD2 (0.72) MTHFD2PDE5ASMN1; SMN2LMNASTAT6
SCHEMBL18990862 0.92 MTHFD2 (0.72) MTHFD2PDE5ASMN1; SMN2LMNASTAT6
SCHEMBL19013903 0.92 MTHFD2 (0.72) MTHFD2PDE5ASMN1; SMN2LMNASTAT6
SCHEMBL19013116 0.92 MTHFD2 (0.72) MTHFD2PDE5ASMN1; SMN2LMNASTAT6
SCHEMBL18990797 0.92 MTHFD2 (0.58) MTHFD2PDE5ASMN1; SMN2LMNASTAT6
SCHEMBL18989681 0.91 MTHFD2 (0.59) MTHFD2PDE5ASMN1; SMN2LMNASTAT6

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-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
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 (2 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 MTHFD2 1/4885PDE5A 562/4885SMN1; SMN2 1247/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 MTHFD2 1/4885PDE5A 562/4885SMN1; SMN2 1247/4885

“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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