SCHEMBL20489792

SCHEMBL20489792

CCOCCOc1ccc(C=O)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.42
THRA P10827 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 1/20 0.36
ACACB O00763 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
FDPS P14324 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL30598771 0.98 ALDH1A1 (0.42) NCF1THRAALDH1A1PDE3BPDE3A
SCHEMBL27028897 0.98 ALDH1A1 (0.42) NCF1THRAALDH1A1PDE3BPDE3A
SCHEMBL17662278 0.90 ALDH1A1 (0.43) NCF1ALDH1A1KDM4ERECQLMAPT
SCHEMBL29417205 0.89 ALDH1A1 (0.42) ALDH1A1KDM4ERECQLLMNAMAPT
SCHEMBL20489803 0.89 ALDH1A1 (0.42) ALDH1A1KDM4ERECQLLMNAMAPT
SCHEMBL7373164 0.85 CA12 (0.42) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL8522859 0.85 MAPT (0.44) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL934205 0.84 NQO1 (0.48) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL31371078 0.83 FDPS (0.40) ALDH1A1KDM4ERECQLMAPTHPGD
SCHEMBL17941786 0.83 APP (0.44) ALDH1A1MAPTAPP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137513-B Pyrimidine derivatives ASKA 制药株式会社 2022-03-01 CN disclosed
EP-3372589-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2021-10-20 EP disclosed
US-10710967-B2 Pyrimidine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2020-07-14 US disclosed
US-20200071280-A1 PYRIMIDINE DERIVATIVE ASKA PHARMACEUTICAL CO., LTD. (JP) 2020-03-05 US disclosed
EP-3372589-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2018-09-12 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-20200071280-A1 PYRIMIDINE DERIVATIVE CXCR1, PTGS1, P2RY1 NCF1 800/4885THRA 1812/4885ALDH1A1 576/4885
US-10710967-B2 Pyrimidine derivative CXCR1, PTGS1, P2RY1 NCF1 800/4885THRA 1812/4885ALDH1A1 576/4885

“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.