SCHEMBL21525997

SCHEMBL21525997

CCOc1nc(C(=O)O)nc(C)c1Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ ENPP1 P22413 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 3/20 0.40
▸ GAA P10253 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SLC26A6 Q9BXS9 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ ALOX5 P09917 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
Hydrochloric Acid SCHEMBL21526118 0.99 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1ENPP1MAPTTP53
SCHEMBL20356515 0.91 GAA (0.39) SMN1; SMN2ALDH1A1ENPP1MAPTGAA
SCHEMBL20356657 0.91 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1ENPP1MAPTTP53
Hydrochloric Acid SCHEMBL21526119 0.90 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1ENPP1MAPTTP53
SCHEMBL20356576 0.88 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1ENPP1MAPTTP53
SCHEMBL21525996 0.88 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1ENPP1MAPTTP53
SCHEMBL20356519 0.87 MAPK8 (0.38) SMN1; SMN2ALDH1A1ENPP1MAPTLMNA
SCHEMBL21526102 0.87 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1ENPP1MAPTTP53
Hydrochloric Acid SCHEMBL21526076 0.86 MAPK8 (0.38) SMN1; SMN2ALDH1A1ENPP1MAPTLMNA
SCHEMBL20356578 0.86 SMN1; SMN2 (0.44) SMN1; SMN2MAPTHTTNR4A2

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 12 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 claimed
US-11034659-B2 Pyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-15 — — US claimed
US-20200172494-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-06-04 — — US claimed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 — — EP claimed
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 2983/4885ALDH1A1 3457/4885ENPP1 3364/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885ALDH1A1 3457/4885ENPP1 3364/4885

“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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