SCHEMBL21526131

SCHEMBL21526131

Cc1nc(COC(C)(C)C)[nH]c(=O)c1Cc1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HCAR2 Q8TDS4 2/20 0.43
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ NR3C1 P04150 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALKBH3 Q96Q83 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ PNP P00491 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 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
SCHEMBL21526022 0.76 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL21526077 0.75 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKDM4EHCAR2ALDH1A1
SCHEMBL21526015 0.73 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTKDM4EPDE3B
SCHEMBL13603792 0.69 IDO1 (0.55) MAPTALDH1A1
SCHEMBL28323175 0.68 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL21548843 0.68 SMN1; SMN2 (0.60) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL7993249 0.67 LMNA (0.52) SMN1; SMN2LMNAMAPTKDM4EPDE3B
SCHEMBL21548832 0.66 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMAPTPDE3BPDE3A
SCHEMBL4858658 0.65 SMN1; SMN2 (0.74) SMN1; SMN2LMNAMAPTALDH1A1NR3C1
SCHEMBL21526070 0.64 CCNE1 (0.44) SMN1; SMN2LMNAMAPTKDM4EHCAR2

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
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 — — EP disclosed
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 — — EP disclosed
US-11034659-B2 Pyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-15 — — US disclosed
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
US-20200172494-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-06-04 — — US disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — 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 (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 SMN1; SMN2 2983/4885LMNA 3852/4885MAPT 4880/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885LMNA 3852/4885MAPT 4880/4885

“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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