SCHEMBL22050338

SCHEMBL22050338

COc1nc(COC(C)(C)C)nc(C)c1Oc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ DHPS P49366 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 5/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ L3MBTL1 Q9Y468 4/20 0.32
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ BLM P54132 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL21526015 0.76 SMN1; SMN2 (0.43) LMNAALDH1A1MAPTCYP3A4CYP2C19
SCHEMBL21526022 0.67 SMN1; SMN2 (0.46) LMNAALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL21526139 0.66 — —
SCHEMBL21526005 0.66 GAA (0.31) —
SCHEMBL21526136 0.63 KMT2A (0.37) KMT2AMEN1ALDH1A1NPSR1HPGD
SCHEMBL21526018 0.63 S1PR4 (0.49) LMNAHTTMAPTNPSR1L3MBTL1
SCHEMBL16795314 0.61 ALDH1A1 (0.54) LMNAKMT2AMEN1ALDH1A1HTT
SCHEMBL20356572 0.60 TTR (0.50) ALDH1A1MAPTNPSR1FFAR1L3MBTL1
SCHEMBL13603792 0.60 IDO1 (0.55) ALDH1A1HTTMAPTSLC6A2SLC6A4
SCHEMBL27449031 0.59 PTGS1 (0.49) LMNAKMT2AMEN1ALDH1A1HTT

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-11034659-B2 Pyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-15 — — US disclosed
US-20200172494-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-06-04 — — 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 (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-11034659-B2 Pyrimidine derivative GPR39, CFTR, TMEM109 LMNA 3852/4885DHPS 2068/4885KMT2A 4661/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 LMNA 3852/4885DHPS 2068/4885KMT2A 4661/4885

“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.

Send feedback