SCHEMBL12095201

SCHEMBL12095201

COC(=O)C(C)Oc1nc(OC)cc(OC)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.47
EDNRA P25101 12/20 0.47
CYP1A2 P05177 1/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL18531915 1.00 EDNRB (0.47) EDNRBEDNRACYP1A2LMNATDP1
SCHEMBL18531826 1.00 EDNRB (0.47) EDNRBEDNRACYP1A2LMNATDP1
SCHEMBL27405573 0.84 EDNRB (0.48) EDNRBEDNRACYP1A2LMNATDP1
SCHEMBL14325404 0.84 EDNRB (0.55) EDNRBEDNRALMNATDP1KDM4E
SCHEMBL14325403 0.84 EDNRB (0.55) EDNRBEDNRALMNATDP1KDM4E
SCHEMBL9361215 0.84 EDNRB (0.55) EDNRBEDNRALMNATDP1KDM4E
SCHEMBL12095218 0.83 EDNRB (0.45) EDNRBEDNRACYP1A2LMNATDP1
SCHEMBL7808396 0.83 EDNRB (0.45) EDNRBEDNRACYP1A2LMNATDP1
SCHEMBL9357252 0.81 SMN1; SMN2 (0.49) EDNRBEDNRALMNAKDM4EALDH1A1
SCHEMBL6639188 0.80 CYP1A2 (0.41) EDNRBEDNRACYP1A2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573907-B2 2, 4-pyrimidine derivatives and use thereof SNU R&DB FOUNDATION (KR) 2017-02-21 US claimed
US-20120322802-A1 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-20 US claimed
EP-2497768-A2 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF SNU R&DB Foundation (KR) 2012-09-12 EP claimed
US-9573907-B2 2, 4-pyrimidine derivatives and use thereof SNU R&DB FOUNDATION (KR) 2017-02-21 US disclosed
EP-2497768-B1 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF SNU R&DB FOUNDATION (KR) 2016-04-20 EP disclosed
US-20120322802-A1 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-20 US disclosed
EP-2497768-A2 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF SNU R&DB Foundation (KR) 2012-09-12 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 (1 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-20120322802-A1 NOVEL 2, 4-PYRIMIDINE DERIVATIVES AND USE THEREOF LY96, AIMP1, NLRP1 EDNRB 4586/4885EDNRA 4633/4885CYP1A2 3679/4885

“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.