SCHEMBL22276485

SCHEMBL22276485

CCOC(O)c1cn2cccnc2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.52
ALDH1A1 P00352 13/20 0.52
HPGD P15428 10/20 0.52
PDE5A O76074 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 6/20 0.41
GLA P06280 5/20 0.41
HSD17B10 Q99714 5/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 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
SCHEMBL19514979 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDPDE5ANPC1
SCHEMBL24983895 0.76 KDM4E (0.47) KDM4EALDH1A1HPGDPDE5ANPC1
SCHEMBL12196880 0.75 ALDH1A1 (0.49) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL29651982 0.75 KDM4E (0.46) KDM4EALDH1A1HPGDPDE5ANPC1
SCHEMBL16373611 0.72 KDM4E (0.44) KDM4EALDH1A1HPGDPDE5ANPC1
SCHEMBL29651998 0.72 KDM4E (0.44) KDM4EALDH1A1HPGDPDE5ANPC1
SCHEMBL23553677 0.72 PDE2A (0.31)
SCHEMBL22337396 0.70 ALDH1A1 (0.45) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL17788455 0.70 TP53 (0.42) KDM4EALDH1A1HPGDPDE5ANPC1
SCHEMBL15038291 0.70 SMN1; SMN2 (0.40) KDM4EALDH1A1HPGDNPC1RAB9A

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-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 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-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KDM4E 798/4885ALDH1A1 1717/4885HPGD 140/4885

“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.