SCHEMBL6708539

SCHEMBL6708539

CCCC(O[C]=O)c1cnccn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LONP1 P36776 2/20 0.30
KDM4E B2RXH2 2/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6706897 0.78 KCNA5 (0.47) CYP2D6CYP2C9CYP2C19KDM4ERAB9A
SCHEMBL19003627 0.72 POLB (0.35) ATMCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL18595067 0.71 SMN1; SMN2 (0.37) ATMCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL18881769 0.69 ATM (0.34) ATMCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL7973738 0.69 KDM4E (0.40) ATMCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5159765 0.69 CYP2D6 (0.33) ATMCYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL7719082 0.68 ATM (0.36) ATMKDM4ERAB9ASMN1; SMN2
SCHEMBL9029684 0.68 PRSS1 (0.37)
SCHEMBL9474488 0.68 RAB9A (0.38) ATMKDM4ERAB9ASMN1; SMN2
SCHEMBL28802112 0.67 KDM4E (0.32) ATMCYP2D6CYP19A1CYP2C9CYP2C19

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-20040019068-A1 Novel remedies or preventives for angiostenosis NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2004-01-29 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-20040019068-A1 Novel remedies or preventives for angiostenosis CMA1, ACE, AGTR1 ATM 3763/4885CYP2D6 3461/4885CYP19A1 2226/4885

“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.