SCHEMBL5651023

SCHEMBL5651023

COc1cc(C(=O)NCCCN)ccc1-c1nc2c[nH]cnc-2n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.47
SUV39H2 Q9H5I1 1/20 0.45
ROCK2 O75116 12/20 0.44
ROCK1 Q13464 12/20 0.44
BRD4 O60885 4/20 0.44
NAMPT P43490 2/20 0.42

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
SCHEMBL5650416 0.91 KMT2A (0.44) LRRK2ROCK2ROCK1BRD4NAMPT
SCHEMBL5652045 0.87 PRMT5 (0.52) ROCK2ROCK1NAMPT
SCHEMBL5653577 0.79 PRMT5 (0.45) NAMPT
SCHEMBL5651330 0.79 DRD2 (0.55)
SCHEMBL5650810 0.77 KMT2A (0.41) ROCK2ROCK1
SCHEMBL5651703 0.76 MEN1 (0.54)
SCHEMBL5654821 0.76 CYP2D6 (0.56)
SCHEMBL5651513 0.75 DRD2 (0.52)
SCHEMBL5652205 0.74 GAA (0.44)
SCHEMBL5650784 0.73 GAA (0.44)

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-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 LRRK2 2726/4885SUV39H2 304/4885ROCK2 1536/4885

“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.