SCHEMBL21526104

SCHEMBL21526104

Cc1nc(CO)nc(NCCCOC(C)C)c1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ CCR4 P51679 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ TLR7 Q9NYK1 8/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GPR6 P46095 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34

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
SCHEMBL21526064 0.85 GPR6 (0.39) SMN1; SMN2HTTTLR7NPSR1GPR6
SCHEMBL21548810 0.77 TLR7 (0.38) TLR7NPSR1MAPTMAPK1CASP3
SCHEMBL21526082 0.74 SMN1; SMN2 (0.52) SMN1; SMN2HTTKCNH2NPSR1MAPT
SCHEMBL21548802 0.71 SMN1; SMN2 (0.56) SMN1; SMN2HTTTLR7P2RX7
SCHEMBL20356749 0.68 SMN1; SMN2 (0.43) SMN1; SMN2HTTTLR7NPSR1HPGD
Hydrochloric Acid SCHEMBL21526020 0.67 SMN1; SMN2 (0.42) SMN1; SMN2HTTTLR7NPSR1HPGD
SCHEMBL21526019 0.67 HTT (0.46) SMN1; SMN2HTTKCNH2NPSR1MAPT
SCHEMBL21548936 0.66 MAPT (0.48) SMN1; SMN2HTTNPSR1MAPTMAPK1
SCHEMBL21548891 0.66 SMN1; SMN2 (0.73) SMN1; SMN2HTTMAPTMAPK1TDP1
SCHEMBL21526073 0.65 SMN1; SMN2 (0.44) SMN1; SMN2HTTNPSR1HPGDP2RX7

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 2983/4885HTT 3973/4885CCR4 1027/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885HTT 3973/4885CCR4 1027/4885

“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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