SCHEMBL21138233

SCHEMBL21138233

Nc1nccn2c(N3CCCCC3Cc3ccccc3)nnc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
CDC42BPB Q9Y5S2 2/20 0.41
GBA1 P04062 1/20 0.40
TNK2 Q07912 1/20 0.38
ATM Q13315 6/20 0.37
DAGLA Q9Y4D2 6/20 0.37
PIK3C3 Q8NEB9 4/20 0.37
DAGLB Q8NCG7 1/20 0.37
ATR Q13535 1/20 0.36
ABHD6 Q9BV23 5/20 0.36
PRKDC P78527 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL21138256 0.87 ROCK2 (0.41) ROCK2ROCK1CDC42BPBGBA1ATM
SCHEMBL21057507 0.81 TLR7 (0.36) TNK2
SCHEMBL21138748 0.81 NUDT1 (0.39) ROCK2ROCK1CDC42BPBTNK2
SCHEMBL21138749 0.77 GBA1 (0.43) GBA1TNK2PRKDC
SCHEMBL21138230 0.77 ALDH1A1 (0.42)
SCHEMBL21138133 0.77 ALDH1A1 (0.42)
SCHEMBL21057262 0.77 ALDH1A1 (0.42)
SCHEMBL21159348 0.76 MEN1 (0.41)
SCHEMBL21138232 0.74 ADORA3 (0.36) TNK2PIK3C3
SCHEMBL21138141 0.74 NR1I2 (0.37) TNK2

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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A ROCK2 548/4885ROCK1 279/4885CDC42BPB 1696/4885

“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.