SCHEMBL21526065

SCHEMBL21526065

CCSc1nc(C(=O)O)nc(C)c1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ DPP4 P27487 2/20 0.39
▸ DPP8 Q6V1X1 2/20 0.39
▸ P2RX7 Q99572 2/20 0.39
▸ MBOAT4 Q96T53 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ COPS5 Q92905 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL21526074 0.89 SMN1; SMN2 (0.46) HTTSMN1; SMN2DPP4DPP8P2RX7
SCHEMBL20356667 0.88 SMN1; SMN2 (0.54) HTTSMN1; SMN2DPP4DPP8P2RX7
SCHEMBL20356760 0.87 GAA (0.38) HTTSMN1; SMN2DPP4DPP8P2RX7
SCHEMBL21526053 0.84 SMN1; SMN2 (0.50) HTTSMN1; SMN2DPP4DPP8P2RX7
SCHEMBL20356578 0.83 SMN1; SMN2 (0.44) HTTSMN1; SMN2DPP4DPP8P2RX7
SCHEMBL21548933 0.82 SMN1; SMN2 (0.61) HTTSMN1; SMN2DPP4DPP8P2RX7
SCHEMBL21526073 0.81 SMN1; SMN2 (0.44) HTTSMN1; SMN2DPP4DPP8P2RX7
SCHEMBL20356750 0.81 SMN1; SMN2 (0.44) HTTSMN1; SMN2DPP4DPP8P2RX7
SCHEMBL21526039 0.80 HTT (0.46) HTTSMN1; SMN2DPP4DPP8P2RX7
SCHEMBL21548948 0.80 PKM (0.36) HTTSMN1; SMN2KMT2AHPGDKDM4C

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 9 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
CN-110198930-A Pyrimidine derivatives 第一三共株式会社 2019-09-03 — — CN 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 2983/4885DPP4 4340/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 HTT 3973/4885SMN1; SMN2 2983/4885DPP4 4340/4885

“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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