SCHEMBL21526049

SCHEMBL21526049

Cc1nc(C(=O)O)nc(NCC(C)(C)O)c1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ P2RX7 Q99572 3/20 0.41
▸ DPP4 P27487 2/20 0.39
▸ DPP8 Q6V1X1 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MDM2 Q00987 1/20 0.36
▸ CD38 P28907 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ PTGFR P43088 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ PTGDR Q13258 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
SCHEMBL21526073 0.87 SMN1; SMN2 (0.44) SMN1; SMN2HTTP2RX7DPP4DPP8
Hydrochloric Acid SCHEMBL21526127 0.86 SMN1; SMN2 (0.43) SMN1; SMN2HTTP2RX7DPP4DPP8
SCHEMBL21548809 0.86 SMN1; SMN2 (0.43) SMN1; SMN2HTTP2RX7DPP4DPP8
Hydrochloric Acid SCHEMBL21526024 0.86 SMN1; SMN2 (0.43) SMN1; SMN2HTTP2RX7DPP4DPP8
SCHEMBL20356749 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HTTP2RX7HPGDNPSR1
SCHEMBL21548806 0.84 SMN1; SMN2 (0.44) SMN1; SMN2HTTP2RX7DPP4DPP8
Hydrochloric Acid SCHEMBL21526020 0.84 SMN1; SMN2 (0.42) SMN1; SMN2HTTP2RX7HPGDNPSR1
SCHEMBL21526078 0.84 SMN1; SMN2 (0.38) SMN1; SMN2HTTP2RX7DPP4NPC1
SCHEMBL20356667 0.83 SMN1; SMN2 (0.54) SMN1; SMN2HTTP2RX7DPP4DPP8
SCHEMBL28323179 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HTTP2RX7NPC1HPGD

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 3973/4885P2RX7 137/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885HTT 3973/4885P2RX7 137/4885

“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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