SCHEMBL21138461

SCHEMBL21138461

CCC1CCCN(c2nnc3c(N)nccn23)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.42
MAP4K4 O95819 4/20 0.37
PDE8B O95263 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TLR7 Q9NYK1 4/20 0.35
BTK Q06187 1/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
AHCY P23526 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
SCHEMBL21138579 0.86 PTPN11 (0.39) PTPN11MAP4K4PDE8BPIM1
SCHEMBL21138853 0.85 PTPN11 (0.43) PTPN11ADORA3TLR7AHCY
SCHEMBL21138158 0.84 MAP4K4 (0.41) PTPN11MAP4K4ADORA3TLR7AHCY
SCHEMBL21138749 0.83 GBA1 (0.43) PTPN11MAP4K4PDE8BADORA3
SCHEMBL21138136 0.81 ADORA3 (0.38) PTPN11ADORA3TLR7AHCY
SCHEMBL19917077 0.79 MAP4K4 (0.44) PTPN11MAP4K4ADORA3BTKAHCY
SCHEMBL21138160 0.78 ADORA3 (0.41) PTPN11ADORA3TLR7PIM1PIM3
SCHEMBL21138170 0.78 ADORA3 (0.41) PTPN11ADORA3TLR7PIM1PIM3
SCHEMBL21138462 0.78 ADORA3 (0.41) PTPN11ADORA3TLR7PIM1PIM3
SCHEMBL19917168 0.78 PTPN11 (0.39) PTPN11ADORA3TLR7AHCY

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
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 497/4885MAP4K4 1623/4885PDE8B 13/4885

“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.