SCHEMBL21526112

SCHEMBL21526112

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ EPHX1 P07099 1/20 0.38
▸ CCR2 P41597 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PTGER1 P34995 2/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ FABP3 P05413 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ COPS5 Q92905 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ PPARG P37231 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
SCHEMBL20356524 0.86 MDM2 (0.39) SMN1; SMN2MDM2
SCHEMBL20356574 0.86 SMN1; SMN2 (0.38) SMN1; SMN2CCR2
SCHEMBL21526098 0.86 SMN1; SMN2 (0.44) SMN1; SMN2HTTEPHX1CCR2GAA
SCHEMBL21526039 0.85 HTT (0.46) SMN1; SMN2HTTGAANR4A2PTGDR
SCHEMBL21526051 0.83 SMN1; SMN2 (0.39) SMN1; SMN2HTTEPHX1CCR2GAA
SCHEMBL20356523 0.82 SMN1; SMN2 (0.45) SMN1; SMN2HTTEPHX1CCR2GAA
SCHEMBL20356667 0.76 SMN1; SMN2 (0.54) SMN1; SMN2HTTNR4A2PTGDRKDM4C
SCHEMBL20356565 0.75 NPSR1 (0.40) HTTGAAPPARG
SCHEMBL20356569 0.74 ALDH1A1 (0.49) HTT
SCHEMBL20356578 0.74 SMN1; SMN2 (0.44) SMN1; SMN2HTTPTGER1NR4A2KDM4C

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
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 3973/4885EPHX1 2670/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885HTT 3973/4885EPHX1 2670/4885

“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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