SCHEMBL21138337

SCHEMBL21138337

Nc1c(Cl)ncnc1N[C@H]1CCCOC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
CD38 P28907 2/20 0.44
BTK Q06187 3/20 0.41
KAT2B Q92831 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
HPGDS O60760 2/20 0.38
TP53 P04637 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA2B P29275 3/20 0.37
ADORA1 P30542 3/20 0.37
GBA1 P04062 1/20 0.36
EGFR P00533 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
SCHEMBL21138491 1.00 JAK2 (0.49) JAK2JAK1CD38BTKKAT2B
SCHEMBL30808262 0.84 HPGDS (0.47) JAK2JAK1HPGDSTP53ADORA1
SCHEMBL21138338 0.84 HPGDS (0.47) JAK2JAK1HPGDSTP53ADORA1
SCHEMBL11617161 0.82 HPGDS (0.50) JAK2JAK1HPGDSTP53ADORA1
SCHEMBL767164 0.80 HPGDS (0.42) IRAK4HPGDSTP53EGFR
SCHEMBL21138216 0.75 MAPK8 (0.44) BTKMAPK8MAPK9HPGDSTP53
SCHEMBL21138485 0.74 CD38 (0.40) CD38BTKIRAK4HPGDSEGFR
SCHEMBL21138334 0.73 MAPK8 (0.40) MAPK8HPGDSTP53EGFR
SCHEMBL21138333 0.73 MAPK8 (0.40) MAPK8HPGDSTP53EGFR
SCHEMBL21138209 0.72 HPGDS (0.37) JAK2JAK1CD38BTKIRAK4

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 JAK2 886/4885JAK1 947/4885CD38 1096/4885

“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.