SCHEMBL18810073

SCHEMBL18810073

O=Cc1ccc(OCCOCC(F)(F)F)nc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.43
APP P05067 5/20 0.42
MAPT P10636 2/20 0.42
SNCA P37840 1/20 0.42
SCN9A Q15858 3/20 0.41
KCNH2 Q12809 2/20 0.41
SCN5A Q14524 2/20 0.36
FDPS P14324 1/20 0.36
PTGES O14684 3/20 0.36
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 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
SCHEMBL1267742 0.85 L3MBTL1 (0.57) L3MBTL1ALDH1A1POLBKDM4EMAPT
SCHEMBL29417154 0.85 L3MBTL1 (0.57) L3MBTL1ALDH1A1POLBKDM4EMAPT
SCHEMBL20489778 0.83 L3MBTL1 (0.50) L3MBTL1ALDH1A1POLBKDM4ESCN9A
SCHEMBL29417209 0.83 L3MBTL1 (0.50) L3MBTL1ALDH1A1POLBKDM4ESCN9A
SCHEMBL28414002 0.81 APP (0.60) L3MBTL1ALDH1A1POLBKDM4EAPP
SCHEMBL29417178 0.80 KDM4E (0.50) L3MBTL1ALDH1A1POLBKDM4EAPP
SCHEMBL9446790 0.80 KDM4E (0.50) L3MBTL1ALDH1A1POLBKDM4EAPP
SCHEMBL22190226 0.78 APP (0.47) L3MBTL1ALDH1A1POLBKDM4EAPP
SCHEMBL18810348 0.78 KDM4E (0.49) L3MBTL1ALDH1A1POLBKDM4EAPP
SCHEMBL20489915 0.78 KDM4E (0.49) L3MBTL1ALDH1A1POLBKDM4EAPP

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
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
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-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
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
WO-2017073709-A1 PYRIMIDINE DERIVATIVE あすか製薬株式会社 2017-05-04 WO 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 L3MBTL1 3161/4885ALDH1A1 576/4885POLB 1964/4885
US-10710967-B2 Pyrimidine derivative CXCR1, PTGS1, P2RY1 L3MBTL1 3161/4885ALDH1A1 576/4885POLB 1964/4885

“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.