SCHEMBL18525795

SCHEMBL18525795

COC(=O)c1ccc(NCc2cccc(OC(F)(F)F)c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
KDM5B Q9UGL1 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.51
MAPK14 Q16539 1/20 0.51
ROCK2 O75116 4/20 0.51
ROCK1 Q13464 2/20 0.51
VNN1 O95497 3/20 0.49
GABRA5 P31644 2/20 0.48
PIM1 P11309 2/20 0.48
ENPP2 Q13822 2/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SCD O00767 1/20 0.45

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
SCHEMBL18525794 0.90 KDM5A (0.59) KDM5AKDM4CKDM5BMRGPRX4MAPK14
SCHEMBL18526087 0.88 MAPK14 (0.53) KDM5AKDM4CKDM5BMAPK14ROCK2
SCHEMBL18525810 0.87 HDAC1 (0.48) KDM5AKDM4CKDM5BMRGPRX4MAPK14
SCHEMBL18526082 0.84 HDAC1 (0.49) KDM5AKDM4CKDM5BMAPK14ROCK2
SCHEMBL18526203 0.84 ROCK2 (0.56) KDM5AKDM4CKDM5BMRGPRX4MAPK14
SCHEMBL22102122 0.82 KDM5A (0.49) KDM5AKDM4CKDM5BMAPK14ROCK2
SCHEMBL18511956 0.82 GABRA5 (0.55) VNN1GABRA5
SCHEMBL18525813 0.82 APP (0.49) KDM5AKDM4CKDM5BMRGPRX4ROCK2
SCHEMBL18525796 0.82 DGAT1 (0.51) ROCK2ROCK1L3MBTL1SCD
SCHEMBL18525811 0.82 APP (0.49) KDM5AKDM4CKDM5BMRGPRX4ROCK2

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.