SCHEMBL18525800

SCHEMBL18525800

COC(=O)c1cccc2nc(-c3ccc(NCc4cccc(OC(F)(F)F)c4)nc3)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
SCD O00767 1/20 0.44
HPSE Q9Y251 1/20 0.42
MMP13 P45452 1/20 0.42
PIM1 P11309 2/20 0.41
ROCK1 Q13464 4/20 0.41
ROCK2 O75116 3/20 0.41
DHODH Q02127 1/20 0.40
RIPK1 Q13546 4/20 0.39
IDH1 O75874 1/20 0.39
DGAT1 O75907 1/20 0.39
CYP2C8 P10632 1/20 0.39
KCNH2 Q12809 1/20 0.39
ENPP2 Q13822 1/20 0.38

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
SCHEMBL18489719 0.92 KDM5A (0.51) KDM5AKDM4CKDM5BSCDHPSE
SCHEMBL18511963 0.87 HPSE (0.45) KDM5ASCDHPSEROCK2DGAT1
SCHEMBL18525796 0.84 DGAT1 (0.51) SCDHPSEMMP13ROCK1ROCK2
SCHEMBL18526083 0.82 CETP (0.46) KDM5AKDM4CKDM5BSCDMMP13
SCHEMBL18489716 0.80 DGAT1 (0.57) KDM5AKDM4CKDM5BHPSEROCK1
SCHEMBL18525586 0.79 KDM5A (0.48) KDM5AKDM4CKDM5BSCDPIM1
SCHEMBL18511958 0.78 KDM5B (0.46) KDM5BHPSEROCK2DHODHDGAT1
SCHEMBL18525795 0.77 KDM5A (0.53) KDM5AKDM4CKDM5BSCDPIM1
SCHEMBL18489753 0.76 KDM5A (0.52) KDM5AKDM4CKDM5BSCDMMP13
SCHEMBL18526174 0.75 KDM5A (0.48) KDM5AKDM4CKDM5BSCDMMP13

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 KDM5A 1424/4885KDM4C 2216/4885KDM5B 1374/4885

“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.