SCHEMBL21526077

SCHEMBL21526077

COCc1nc(C)c(Cc2ccc(Cl)cc2Cl)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 3/20 0.46
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38

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
SCHEMBL21526061 0.85 KDM4E (0.42) SMN1; SMN2KDM4EL3MBTL1HTTHPGD
SCHEMBL21526142 0.76 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1CCNE1
SCHEMBL21526131 0.75 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ETSHRGAALMNA
SCHEMBL21526075 0.75 HTT (0.50) SMN1; SMN2KDM4EL3MBTL1HTTHPGD
SCHEMBL21548891 0.73 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EL3MBTL1HTTTSHR
SCHEMBL20356667 0.68 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EL3MBTL1HTTNPC1
SCHEMBL1989192 0.68 IDO1 (0.64) SMN1; SMN2KDM4EL3MBTL1HTTTSHR
SCHEMBL21526039 0.67 HTT (0.46) SMN1; SMN2KDM4EHTTHPGDGAA
SCHEMBL18294954 0.67 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1HTTHPGDTSHR
SCHEMBL6299333 0.66 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EL3MBTL1HTTHPGD

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 2983/4885KDM4E 4694/4885L3MBTL1 3262/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885KDM4E 4694/4885L3MBTL1 3262/4885

“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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