SCHEMBL31028263

SCHEMBL31028263

CC(CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1ccc(Cl)c(Cl)c1Cn1cnc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC29A1 Q99808 1/20 0.33
NPEPPS P55786 3/20 0.33
P2RY2 P41231 1/20 0.32
FGFR1 P11362 2/20 0.32
FGFR4 P22455 2/20 0.32
P2RX3 P56373 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
EGFR P00533 1/20 0.31
PDPK1 O15530 1/20 0.31

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
SCHEMBL28821343 0.94 NSD2 (0.36) NSD2LMNASMN1; SMN2SLC29A1NPEPPS
SCHEMBL28821345 0.94 NSD2 (0.36) NSD2LMNASMN1; SMN2SLC29A1NPEPPS
SCHEMBL31028274 0.90 LMNA (0.36) NSD2LMNASMN1; SMN2SLC29A1NPEPPS
SCHEMBL24075638 0.85 LMNA (0.38) NSD2LMNASMN1; SMN2SLC29A1FGFR1
SCHEMBL28821413 0.84 LMNA (0.36) NSD2LMNASMN1; SMN2SLC29A1NPEPPS
SCHEMBL28821417 0.84 LMNA (0.36) NSD2LMNASMN1; SMN2SLC29A1NPEPPS
SCHEMBL31028254 0.84 P2RX3 (0.39) SLC29A1FGFR1FGFR4P2RX3AAK1
SCHEMBL28821449 0.83 P2RX3 (0.36) SLC29A1FGFR1FGFR4P2RX3AAK1
SCHEMBL24075627 0.83 P2RX3 (0.36) SLC29A1FGFR1FGFR4P2RX3AAK1
SCHEMBL29727327 0.83 P2RX3 (0.36) SLC29A1FGFR1FGFR4P2RX3AAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371434-B2 MLL1 inhibitors and anti-cancer agents CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2025-07-29 US disclosed
EP-4013754-B1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-07-24 EP 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 (1 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-12371434-B2 MLL1 inhibitors and anti-cancer agents MLLT1, BMI1, DOT1L NSD2 105/4885LMNA 2414/4885SMN1; SMN2 1940/4885

“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.