SCHEMBL20740433

SCHEMBL20740433

Nc1ccc(N2CCN(C3CCCC3)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 10/20 0.46
PIK3CA P42336 3/20 0.45
MTOR P42345 3/20 0.45
HRH1 P35367 1/20 0.43
CDK4 P11802 1/20 0.42
HSD11B1 P28845 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PTPN11 Q06124 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL20740505 0.98 L3MBTL3 (0.45) L3MBTL3L3MBTL1HRH3PIK3CAMTOR
SCHEMBL20740625 0.98 L3MBTL3 (0.45) L3MBTL3L3MBTL1HRH3PIK3CAMTOR
SCHEMBL20740477 0.97 HRH3 (0.48) L3MBTL3L3MBTL1HRH3PIK3CAMTOR
SCHEMBL13769052 0.94 PIK3CA (0.50) L3MBTL3L3MBTL1HRH3PIK3CAMTOR
SCHEMBL2300495 0.88 MAP4K4 (0.49) L3MBTL3L3MBTL1HRH3PIK3CAMTOR
SCHEMBL13769029 0.88 L3MBTL3 (0.64) L3MBTL3L3MBTL1HRH3KCNH2
SCHEMBL2724459 0.86 L3MBTL3 (0.62) L3MBTL3L3MBTL1HRH3KCNH2
SCHEMBL10126764 0.84 ACVR1 (0.53) L3MBTL3L3MBTL1PIK3CAMTOR
SCHEMBL14916901 0.83 PIK3CA (0.50) PIK3CAMTORHSD11B1CHRNB2CHRNA4
SCHEMBL2724584 0.81 L3MBTL1 (0.46) L3MBTL3L3MBTL1HRH3PIK3CAMTOR

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
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 L3MBTL3 3930/4885L3MBTL1 3334/4885HRH3 2208/4885
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof CDK4, CDK6, CCNI L3MBTL3 3930/4885L3MBTL1 3334/4885HRH3 2208/4885

“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.