SCHEMBL21548828

SCHEMBL21548828

CCCOc1nc(C(=O)O)nc(CC)c1Cc1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ NR4A2 P43354 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BRS3 P32247 1/20 0.35
▸ MAPK8 P45983 2/20 0.34
▸ SLC26A6 Q9BXS9 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34

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
Hydrochloric Acid SCHEMBL21526063 0.99 SMN1; SMN2 (0.36) SMN1; SMN2HTTTP53NR4A2NPC1
SCHEMBL20356519 0.91 MAPK8 (0.38) SMN1; SMN2HTTNR4A2NPC1RAB9A
SCHEMBL20356660 0.90 ADORA3 (0.35) SMN1; SMN2HTTTP53NR4A2MEN1
Hydrochloric Acid SCHEMBL21526076 0.90 MAPK8 (0.38) SMN1; SMN2HTTNR4A2NPC1RAB9A
Hydrochloric Acid SCHEMBL21526105 0.89 ADORA3 (0.34) SMN1; SMN2HTTTP53NR4A2MEN1
SCHEMBL20356657 0.88 SMN1; SMN2 (0.44) SMN1; SMN2HTTTP53NR4A2NPC1
SCHEMBL21526001 0.87 SMN1; SMN2 (0.38) SMN1; SMN2NR4A2GAASLC26A6L3MBTL1
Hydrochloric Acid SCHEMBL21526119 0.87 SMN1; SMN2 (0.44) SMN1; SMN2HTTTP53NR4A2NPC1
Hydrochloric Acid SCHEMBL28322143 0.85 SMN1; SMN2 (0.37) SMN1; SMN2NR4A2GAAMAPK8SLC26A6
SCHEMBL20356659 0.84 SMN1; SMN2 (0.36) SMN1; SMN2TP53NR4A2NPC1MEN1

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 4 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
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

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 3973/4885TP53 2921/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885HTT 3973/4885TP53 2921/4885

“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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