SCHEMBL20356645

SCHEMBL20356645

CCNc1nc(C(=O)O)nc(C2CC2)c1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ P2RX7 Q99572 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PGK1 P00558 1/20 0.36
▸ CD38 P28907 1/20 0.36
▸ 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
▸ EPHX2 P34913 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL21548851 0.91 MDM2 (0.37) MDM2KDM4CP2RX7PGK1
SCHEMBL21526073 0.85 SMN1; SMN2 (0.44) MDM2KDM4CP2RX7SMN1; SMN2HTT
SCHEMBL21526137 0.84 SMN1; SMN2 (0.41) KDM4CP2RX7SMN1; SMN2HTTPGK1
Hydrochloric Acid SCHEMBL21526127 0.84 SMN1; SMN2 (0.43) MDM2KDM4CP2RX7SMN1; SMN2HTT
SCHEMBL21526051 0.82 SMN1; SMN2 (0.39) MDM2SMN1; SMN2HTTPGK1CD38
SCHEMBL21526087 0.80 HPGD (0.39) SMN1; SMN2HTTPGK1CD38TBXA2R
SCHEMBL20356749 0.77 SMN1; SMN2 (0.43) P2RX7SMN1; SMN2HTTCD38HPGD
Hydrochloric Acid SCHEMBL21526020 0.76 SMN1; SMN2 (0.42) P2RX7SMN1; SMN2HTTCD38HPGD
Hydrochloric Acid SCHEMBL21526024 0.75 SMN1; SMN2 (0.43) MDM2P2RX7SMN1; SMN2HTTCD38
SCHEMBL21548809 0.75 SMN1; SMN2 (0.43) MDM2P2RX7SMN1; SMN2HTTCD38

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 6 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-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
WO-2018124000-A1 PYRIMIDINE DERIVATIVE 第一三共株式会社 2018-07-05 — — WO 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 MDM2 4223/4885KDM4C 3833/4885NR3C1 1448/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 MDM2 4223/4885KDM4C 3833/4885NR3C1 1448/4885

“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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