SCHEMBL21138466

SCHEMBL21138466

CC1(C)CCN(c2nnc3c(N)nccn23)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 17/20 0.45
ADORA3 P0DMS8 1/20 0.40
NUDT1 P36639 1/20 0.35
AHCY P23526 1/20 0.34

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
SCHEMBL21138854 0.87 PTPN11 (0.44) PTPN11ADORA3NUDT1
SCHEMBL21057382 0.84 ADORA2A (0.39) PTPN11ADORA3NUDT1AHCY
SCHEMBL21138813 0.83 PTPN11 (0.41) PTPN11
SCHEMBL21138160 0.82 ADORA3 (0.41) PTPN11ADORA3NUDT1AHCY
SCHEMBL21138170 0.82 ADORA3 (0.41) PTPN11ADORA3NUDT1AHCY
SCHEMBL21138462 0.82 ADORA3 (0.41) PTPN11ADORA3NUDT1AHCY
SCHEMBL21138159 0.80 ADORA3 (0.40) PTPN11ADORA3NUDT1AHCY
SCHEMBL21138853 0.77 PTPN11 (0.43) PTPN11ADORA3AHCY
SCHEMBL21138751 0.75 ADORA3 (0.41) PTPN11ADORA3NUDT1AHCY
SCHEMBL19917076 0.75 ADORA3 (0.41) PTPN11ADORA3NUDT1AHCY

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 PTPN11 497/4885ADORA3 1484/4885NUDT1 60/4885

“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.