SCHEMBL21526097

SCHEMBL21526097

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ DPP4 P27487 2/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL21548808 0.90 HPGD (0.39) HPGDNPSR1HTTSMN1; SMN2P2RX7
SCHEMBL21526130 0.87 SMN1; SMN2 (0.38) HPGDNPSR1HTTSMN1; SMN2IDO1
SCHEMBL21526062 0.87 HPGD (0.38) HPGDNPSR1HTTSMN1; SMN2IDO1
SCHEMBL21526117 0.85 SMN1; SMN2 (0.44) HPGDNPSR1HTTSMN1; SMN2P2RX7
SCHEMBL21526073 0.85 SMN1; SMN2 (0.44) HPGDNPSR1HTTSMN1; SMN2P2RX7
Hydrochloric Acid SCHEMBL21526127 0.84 SMN1; SMN2 (0.43) HPGDNPSR1HTTSMN1; SMN2P2RX7
SCHEMBL21548932 0.84 MAPT (0.43) HPGDNPSR1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL21526078 0.82 SMN1; SMN2 (0.38) HPGDNPSR1HTTSMN1; SMN2P2RX7
SCHEMBL21548811 0.80 HTT (0.46) HPGDNPSR1HTTSMN1; SMN2P2RX7
SCHEMBL21526049 0.78 SMN1; SMN2 (0.41) HPGDNPSR1HTTSMN1; SMN2P2RX7

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 HPGD 2237/4885NPSR1 778/4885HTT 3973/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 HPGD 2237/4885NPSR1 778/4885HTT 3973/4885

“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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