SCHEMBL18525586

SCHEMBL18525586

COC(=O)c1cc(-c2ccc(NCc3cccc(OC(F)(F)F)c3)nc2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
SCD O00767 2/20 0.47
ROCK2 O75116 4/20 0.47
ROCK1 Q13464 4/20 0.47
PIM1 P11309 2/20 0.46
CTSA P10619 1/20 0.43
RIPK1 Q13546 4/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNB1 Q14721 1/20 0.42
TNIK Q9UKE5 1/20 0.42

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
SCHEMBL18489748 0.94 KDM5A (0.54) KDM5AKDM4CKDM5BSCDROCK2
SCHEMBL18489731 0.89 ROCK2 (0.46) KDM5AKDM4CKDM5BSCDROCK2
SCHEMBL18526200 0.88 KDM5A (0.54) KDM5AKDM4CKDM5BSCDROCK2
SCHEMBL18526154 0.88 PIM1 (0.48) KDM5AKDM4CKDM5BSCDROCK2
SCHEMBL18526075 0.88 ROCK2 (0.48) KDM5AKDM4CKDM5BSCDROCK2
SCHEMBL18526199 0.87 GCGR (0.48) KDM5AKDM4CKDM5BSCDROCK2
SCHEMBL18526134 0.87 KDM5A (0.44) KDM5AKDM4CKDM5BSCDROCK2
SCHEMBL18489712 0.87 SCD (0.48) KDM5AKDM4CKDM5BSCDROCK2
SCHEMBL18489775 0.87 KDM5A (0.46) KDM5AKDM4CKDM5BSCDROCK2
SCHEMBL18526077 0.87 ROCK2 (0.49) KDM5AKDM4CKDM5BSCDROCK2

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.