SCHEMBL21138749

SCHEMBL21138749

Nc1nccn2c(N3CCCC(Cc4ccccc4)C3)nnc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
PTPN11 Q06124 2/20 0.41
PRKDC P78527 1/20 0.41
MAP4K4 O95819 4/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
GRM2 Q14416 1/20 0.37
TNK2 Q07912 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
HSD11B1 P28845 1/20 0.36
PDE8B O95263 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL21138900 0.87 GBA1 (0.43) GBA1PTPN11PRKDCCARM1PRMT6
SCHEMBL21138461 0.83 PTPN11 (0.42) PTPN11MAP4K4ADORA3PDE8B
SCHEMBL21138750 0.81 HRH3 (0.41) GBA1PTPN11TNK2
SCHEMBL21138233 0.77 ROCK2 (0.41) GBA1PRKDCTNK2
SCHEMBL21138158 0.77 MAP4K4 (0.41) PTPN11MAP4K4ADORA3ALDH1A1MAPT
SCHEMBL21138136 0.77 ADORA3 (0.38) PTPN11ADORA3
SCHEMBL19917077 0.74 MAP4K4 (0.44) PTPN11MAP4K4ADORA3
SCHEMBL21138462 0.73 ADORA3 (0.41) PTPN11ADORA3
SCHEMBL21138160 0.73 ADORA3 (0.41) PTPN11ADORA3
SCHEMBL21138170 0.73 ADORA3 (0.41) PTPN11ADORA3

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 GBA1 2570/4885PTPN11 497/4885PRKDC 1005/4885

“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.