SCHEMBL21526015

SCHEMBL21526015

COc1nc(COC(C)(C)C)nc(C)c1Cc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 3/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CDK5 Q00535 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
SCHEMBL21526022 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTENPP1HSD17B10
SCHEMBL21526054 0.83 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTENPP1HSD17B10
SCHEMBL28323175 0.77 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTENPP1HSD17B10
SCHEMBL22050338 0.76 LMNA (0.38) SMN1; SMN2ALDH1A1MAPTTDP1CYP3A4
SCHEMBL21526005 0.74 GAA (0.31) GAA
SCHEMBL21526139 0.74 — —
SCHEMBL21525996 0.73 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTENPP1HSD17B10
SCHEMBL21526131 0.73 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1MAPTENPP1KDM4E
SCHEMBL21526102 0.72 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTENPP1HSD17B10
SCHEMBL23955986 0.71 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1KDM4E

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 2983/4885ALDH1A1 3457/4885MAPT 4880/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885ALDH1A1 3457/4885MAPT 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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