SCHEMBL21526137

SCHEMBL21526137

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ PGK1 P00558 1/20 0.38
▸ CD38 P28907 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NLRP1 Q9C000 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ PTGFR P43088 1/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ PTGIR P43119 1/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CRHR1 P34998 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ AKT3 Q9Y243 1/20 0.36
▸ GRM4 Q14833 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
SCHEMBL21526087 0.89 HPGD (0.39) SMN1; SMN2HTTPGK1CD38TBXA2R
SCHEMBL21526073 0.88 SMN1; SMN2 (0.44) SMN1; SMN2HTTPGK1CD38LMNA
Hydrochloric Acid SCHEMBL21526127 0.87 SMN1; SMN2 (0.43) SMN1; SMN2HTTPGK1CD38LMNA
SCHEMBL20356643 0.86 SLC26A6 (0.41) SMN1; SMN2HTTPGK1CD38LMNA
SCHEMBL21526072 0.85 SMN1; SMN2 (0.45) SMN1; SMN2HTTLMNAMAPK1NLRP1
SCHEMBL21526051 0.85 SMN1; SMN2 (0.39) SMN1; SMN2HTTPGK1CD38TBXA2R
SCHEMBL20356645 0.84 MDM2 (0.39) SMN1; SMN2HTTPGK1CD38TBXA2R
SCHEMBL20356749 0.79 SMN1; SMN2 (0.43) SMN1; SMN2HTTCD38HPGDNPSR1
Hydrochloric Acid SCHEMBL21526020 0.78 SMN1; SMN2 (0.42) SMN1; SMN2HTTCD38HPGDNPSR1
SCHEMBL21548809 0.78 SMN1; SMN2 (0.43) SMN1; SMN2HTTCD38LMNATBXA2R

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 3973/4885PGK1 3506/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885HTT 3973/4885PGK1 3506/4885

“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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