SCHEMBL21526039

SCHEMBL21526039

COc1nc(C(=O)O)nc(C)c1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ P2RX7 Q99572 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PLA2G2A P14555 1/20 0.39
▸ NR4A2 P43354 1/20 0.39
▸ PTGDR Q13258 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ DPP4 P27487 3/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL20356565 0.89 NPSR1 (0.40) HTTHPGDNPSR1P2RX7LMNA
SCHEMBL20356667 0.89 SMN1; SMN2 (0.54) HTTSMN1; SMN2P2RX7NR4A2PTGDR
SCHEMBL20356578 0.88 SMN1; SMN2 (0.44) HTTSMN1; SMN2P2RX7NR4A2KDM4E
SCHEMBL20356569 0.88 ALDH1A1 (0.49) HTTHPGDNPSR1P2RX7LMNA
SCHEMBL20356563 0.85 MBOAT4 (0.40) HTTHPGDLMNAALDH1A1HSD17B10
SCHEMBL21525996 0.85 SMN1; SMN2 (0.48) HTTSMN1; SMN2HPGDP2RX7LMNA
SCHEMBL21526112 0.85 SMN1; SMN2 (0.41) HTTSMN1; SMN2NR4A2PTGDRKDM4C
SCHEMBL21526053 0.85 SMN1; SMN2 (0.50) HTTSMN1; SMN2P2RX7NR4A2PTGDR
SCHEMBL21526102 0.84 SMN1; SMN2 (0.47) HTTSMN1; SMN2HPGDP2RX7LMNA
SCHEMBL21548933 0.83 SMN1; SMN2 (0.61) HTTSMN1; SMN2P2RX7LMNAALDH1A1

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 12 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 claimed
US-11034659-B2 Pyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-15 — — US claimed
US-20200172494-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-06-04 — — US claimed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP claimed
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 HTT 3973/4885SMN1; SMN2 2983/4885HPGD 2237/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 HTT 3973/4885SMN1; SMN2 2983/4885HPGD 2237/4885

“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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