SCHEMBL21138871

SCHEMBL21138871

O=C(NNc1nccnc1Cl)C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 4/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.41
P2RX7 Q99572 2/20 0.40
TP53 P04637 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL21138231 0.98 GAA (0.53) GAARAB9AALDH1A1HPGDMAPT
SCHEMBL19917032 0.97 MAPT (0.52) GAARAB9AALDH1A1HPGDMAPT
SCHEMBL21138343 0.88 GAA (0.42) GAARAB9AALDH1A1HPGDMAPT
SCHEMBL21057430 0.87 GAA (0.43) GAARAB9AALDH1A1HPGDMAPT
SCHEMBL21057432 0.87 GAA (0.43) GAARAB9AALDH1A1HPGDMAPT
SCHEMBL21138347 0.86 GAA (0.42) GAARAB9AALDH1A1HPGDMAPT
SCHEMBL21138866 0.86 GAA (0.40) GAARAB9AALDH1A1HPGDMAPT
SCHEMBL21138865 0.85 GAA (0.41) GAARAB9AALDH1A1HPGDMAPT
SCHEMBL21138240 0.84 GAA (0.40) GAARAB9AALDH1A1HPGDMAPT
SCHEMBL19917129 0.84 GAA (0.40) GAARAB9AALDH1A1HPGDMAPT

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 GAA 1662/4885RAB9A 1086/4885ALDH1A1 1644/4885

“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.