SCHEMBL21526022

SCHEMBL21526022

Cc1nc(COC(C)(C)C)nc(Cl)c1Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ TP53 P04637 4/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21526015 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTENPP1TP53
SCHEMBL23955986 0.84 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL21526126 0.80 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTENPP1HTR2A
SCHEMBL28323175 0.80 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTENPP1HTR2C
SCHEMBL21526131 0.76 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1MAPTENPP1TP53
SCHEMBL21526138 0.76 IDO1 (0.35) IDO1
SCHEMBL21548832 0.74 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTENPP1TP53
SCHEMBL21526075 0.73 HTT (0.50) SMN1; SMN2ALDH1A1MAPTIDO1LMNA
SCHEMBL13603792 0.72 IDO1 (0.55) ALDH1A1MAPTIDO1
SCHEMBL21548843 0.71 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MAPTENPP1TP53

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 9 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
CN-110198930-A Pyrimidine derivatives 第一三共株式会社 2019-09-03 — — CN 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 3457/4885MAPT 4880/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 SMN1; SMN2 2983/4885ALDH1A1 3457/4885MAPT 4880/4885

“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.

Send feedback