SCHEMBL20740477

SCHEMBL20740477

Nc1ccc(N2CCN(C3CCC3)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.48
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIK3CA P42336 3/20 0.45
MTOR P42345 3/20 0.45
HSD11B1 P28845 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
KCNH2 Q12809 1/20 0.40
DRD3 P35462 2/20 0.40
DRD2 P14416 1/20 0.40
HTR6 P50406 1/20 0.40
CDK4 P11802 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL20740433 0.97 L3MBTL3 (0.46) HRH3L3MBTL3L3MBTL1PIK3CAMTOR
SCHEMBL20740505 0.95 L3MBTL3 (0.45) HRH3L3MBTL3L3MBTL1PIK3CAMTOR
SCHEMBL20740625 0.95 L3MBTL3 (0.45) HRH3L3MBTL3L3MBTL1PIK3CAMTOR
SCHEMBL13769052 0.94 PIK3CA (0.50) HRH3L3MBTL3L3MBTL1PIK3CAMTOR
SCHEMBL2300495 0.88 MAP4K4 (0.49) HRH3L3MBTL3L3MBTL1PIK3CAMTOR
SCHEMBL13769029 0.88 L3MBTL3 (0.64) HRH3L3MBTL3L3MBTL1KCNH2
SCHEMBL2724459 0.86 L3MBTL3 (0.62) HRH3L3MBTL3L3MBTL1KCNH2
SCHEMBL10126764 0.84 ACVR1 (0.53) L3MBTL3L3MBTL1PIK3CAMTOR
SCHEMBL14916901 0.83 PIK3CA (0.50) PIK3CAMTORHSD11B1CHRNB2CHRNA4
SCHEMBL2723240 0.81 L3MBTL3 (0.50) HRH3L3MBTL3L3MBTL1PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 EP disclosed
EP-3444254-B1 HETEROCYCLIC-SUBSTITUTED PYRIDINOPYRIMIDINONE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF SHANGHAI XUNHE PHARMACEUTICAL TECH CO LTD (CN) 2020-05-13 EP disclosed
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2019-07-16 US disclosed
US-20190071453-A1 Heterocyclic-substituted Pyridinopyrimidinone Derivative as CDK Inhibitor and Use thereof CHENGDU JINRUI FOUNDATION BIOTECH CO., LTD. (CN) 2019-03-07 US disclosed
EP-3444254-A1 HETEROCYCLIC-SUBSTITUTED PYRIDINOPYRIMIDINONE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF Shanghai Xunhe Pharmaceutical Technology Co., Ltd. (CN) 2019-02-20 EP 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 (2 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-20190071453-A1 Heterocyclic-substituted Pyridinopyrimidinone Derivative as CDK Inhibitor and Use thereof CDK4, CDK6, CCNI HRH3 2208/4885L3MBTL3 3930/4885L3MBTL1 3334/4885
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof CDK4, CDK6, CCNI HRH3 2208/4885L3MBTL3 3930/4885L3MBTL1 3334/4885

“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.