SCHEMBL11922151

SCHEMBL11922151

CN1CCc2cc(C(C)(C)C)cnc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.50
APP P05067 1/20 0.40
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR1D P28221 1/20 0.33
CYP11B2 P19099 9/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.31
SSTR4 P31391 1/20 0.30

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
SCHEMBL25086325 0.81 GRM5 (0.33) GRM5CYP11B2CNR2
SCHEMBL7923008 0.77 GRM5 (0.54) GRM5APPCYP11B2MEN1KMT2A
SCHEMBL26819633 0.76 CYP11B2 (0.32) CYP11B2
SCHEMBL927087 0.75 GRM5 (0.53) GRM5APPMEN1KMT2A
SCHEMBL16519548 0.75 GRM5 (0.53) GRM5APPADRA2CCYP11B2MEN1
SCHEMBL10202528 0.73 KDM4E (0.44) MEN1KMT2A
SCHEMBL11922134 0.72 GRM5 (0.53) GRM5CYP11B2
SCHEMBL12859573 0.70
SCHEMBL12859582 0.70 DRD4 (0.32)
SCHEMBL11922155 0.70 KDM4E (0.36) CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2019-04-25 US disclosed
US-9546165-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 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 (3 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 GRM5 3566/4885APP 4000/4885ADRA2A 4602/4885
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, HK1 GRM5 4188/4885APP 1641/4885ADRA2A 4346/4885
US-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 GRM5 3566/4885APP 4000/4885ADRA2A 4602/4885

“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.