SCHEMBL21138249

SCHEMBL21138249

Clc1nccn2c(C3CCC3)nnc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.45
NR1I2 O75469 1/20 0.42
ADORA3 P0DMS8 4/20 0.40
GRM2 Q14416 1/20 0.38
TNK2 Q07912 1/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
KCNH2 Q12809 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL21138331 0.98 HSD11B1 (0.47) HSD11B1NR1I2ADORA3GRM2CCNE1
SCHEMBL21138816 0.97 HSD11B1 (0.49) HSD11B1NR1I2ADORA3GRM2CCNE1
SCHEMBL21138911 0.88 HSD11B1 (0.37) HSD11B1NR1I2ADORA3
SCHEMBL30396230 0.87 HSD11B1 (0.37) HSD11B1NR1I2ADORA3TNK2CCNE1
SCHEMBL25525166 0.87 HSD11B1 (0.37) HSD11B1NR1I2ADORA3TNK2CCNE1
SCHEMBL19917049 0.87 HSD11B1 (0.37) HSD11B1NR1I2ADORA3CCNE1CDK2
SCHEMBL21057446 0.87 HSD11B1 (0.37) HSD11B1NR1I2ADORA3CCNE1CDK2
SCHEMBL21138569 0.86 HSD11B1 (0.37) HSD11B1NR1I2ADORA3
SCHEMBL21138372 0.85 HSD11B1 (0.50) HSD11B1NR1I2ADORA3
SCHEMBL21138810 0.83 ADORA3 (0.38) HSD11B1NR1I2ADORA3CCNE1CDK2

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 HSD11B1 478/4885NR1I2 2630/4885ADORA3 1484/4885

“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.