SCHEMBL18525796

SCHEMBL18525796

COC(=O)c1ccc2nc(-c3ccc(NCc4cccc(OC(F)(F)F)c4)nc3)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.51
CYP2C8 P10632 1/20 0.51
KCNH2 Q12809 1/20 0.51
HPSE Q9Y251 1/20 0.48
SCD O00767 1/20 0.47
CHEK2 O96017 2/20 0.45
MMP13 P45452 2/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ROCK2 O75116 2/20 0.44

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
SCHEMBL18489716 0.93 DGAT1 (0.57) DGAT1CYP2C8KCNH2HPSECHEK2
SCHEMBL18511957 0.87 CHEK2 (0.54) DGAT1CYP2C8KCNH2HPSECHEK2
SCHEMBL18525800 0.84 KDM5A (0.44) DGAT1CYP2C8KCNH2HPSESCD
SCHEMBL18525795 0.82 KDM5A (0.53) SCDL3MBTL1ROCK2ROCK1
SCHEMBL18525811 0.82 APP (0.49) SCDKDM4EALDH1A1ROCK2ROCK1
SCHEMBL18525813 0.82 APP (0.49) SCDKDM4ELMNAHTTROCK2
SCHEMBL19970739 0.81 CYP1A2 (0.60) CHEK2MMP13MMP2MMP9MMP8
SCHEMBL18489719 0.80 KDM5A (0.51) DGAT1CYP2C8KCNH2HPSESCD
SCHEMBL18526203 0.80 ROCK2 (0.56) DGAT1CYP2C8KCNH2SCDROCK2
SCHEMBL18511959 0.78 DGAT1 (0.63) DGAT1CYP2C8KCNH2HPSECHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US 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-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L DGAT1 4557/4885CYP2C8 4616/4885KCNH2 2582/4885

“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.