SCHEMBL21548942

SCHEMBL21548942

Cc1nc(C(=O)OC(C)(C)C)nc(Cc2ccccc2Cl)c1Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.40
▸ ENPP1 P22413 1/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ SLC26A6 Q9BXS9 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 4/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ P2RX7 Q99572 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL21548832 0.89 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1ENPP1PDE3BPDE3A
SCHEMBL21548842 0.88 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1ENPP1PDE3BPDE3A
SCHEMBL21526023 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1ENPP1PDE3BPDE3A
SCHEMBL21548841 0.80 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1ENPP1PDE3BPDE3A
SCHEMBL21526021 0.78 SLC26A6 (0.54) SMN1; SMN2ALDH1A1ENPP1PDE3BPDE3A
SCHEMBL21526117 0.76 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTTP53
SCHEMBL21526092 0.74 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1ENPP1PDE3BPDE3A
SCHEMBL21548943 0.74 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1ENPP1LMNAMAPT
SCHEMBL21526045 0.71 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1ENPP1PDE3BPDE3A
SCHEMBL20356703 0.68 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1ENPP1LMNAMAPT

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 4 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
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
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 2983/4885ALDH1A1 3457/4885ENPP1 3364/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885ALDH1A1 3457/4885ENPP1 3364/4885

“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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