SCHEMBL13063763

SCHEMBL13063763

Cn1nc2n(c1=O)CCOC2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
DHODH Q02127 13/20 0.34
PDE4D Q08499 1/20 0.33
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL12012163 0.82 RET (0.34) ALDH1A1POLBDHODH
SCHEMBL12013030 0.78 POLB (0.37) ALDH1A1POLB
SCHEMBL9377617 0.75 GRM5 (0.33)
SCHEMBL12012169 0.74 POLB (0.35) ALDH1A1POLBDHODH
SCHEMBL12013041 0.71 BRD4 (0.38) ALDH1A1POLBL3MBTL1
SCHEMBL3532688 0.67 GAA (0.33) ALDH1A1POLB
SCHEMBL11914660 0.65 ALDH1A1 (0.31) ALDH1A1POLB
SCHEMBL10282161 0.65 POLB (0.47) ALDH1A1POLB
SCHEMBL30924557 0.65 ALDH1A1 (0.40) ALDH1A1DHODH
SCHEMBL3783636 0.64 POLB (0.35) ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 WO 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 (2 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 ALDH1A1 1852/4885POLB 3367/4885DHODH 3831/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 ALDH1A1 1852/4885POLB 3367/4885DHODH 3831/4885

“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.