SCHEMBL4378241

SCHEMBL4378241

O=C1OCc2cnc(Cl)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 5/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
TYMS P04818 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
RCE1 Q9Y256 1/20 0.30

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
SCHEMBL18168431 0.70 MB (0.36) TYRO3DYRK1BJUNNFKB1NFKB2
SCHEMBL30640297 0.69 MAOA (0.36) KDM4EALDH1A1HPGDMAOAMAOB
SCHEMBL1610662 0.69 MAOA (0.36) KDM4EALDH1A1HPGDMAOAMAOB
SCHEMBL27056042 0.69 TYRO3 (0.35) KDM4EALDH1A1CYP1A2CYP2C19TYRO3
SCHEMBL18168056 0.69 IDH1 (0.43) TYRO3DYRK1BMAPT
SCHEMBL31460676 0.67 MAOA (0.44) KDM4EALDH1A1HPGDMAOAMAOB
SCHEMBL20572086 0.67 MAOA (0.44) KDM4EALDH1A1HPGDMAOAMAOB
SCHEMBL31267899 0.67 TYRO3 (0.37) KDM4ETYRO3DYRK1BJUNNFKB1
SCHEMBL427251 0.67 MAOA (0.33) KDM4EALDH1A1HPGDMAOAMAOB
SCHEMBL30777930 0.67 MAOA (0.33) KDM4EALDH1A1HPGDMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 KDM4E 2693/4885ALDH1A1 245/4885HPGD 1347/4885

“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.