SCHEMBL20740461

SCHEMBL20740461

CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC1.CCN1CCN(Cc2ccc(N)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.52
WNT3A P56704 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
PIK3CA P42336 1/20 0.41
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL30584532 0.89 MEN1 (0.49) GPR119MEN1KMT2AMAPTTP53
SCHEMBL1997213 0.89 MEN1 (0.49) GPR119MEN1KMT2AMAPTTP53
SCHEMBL29426702 0.85 MAPT (0.56) GPR119WNT3ASMN1; SMN2MEN1KMT2A
SCHEMBL1393764 0.85 MAPT (0.56) GPR119WNT3ASMN1; SMN2MEN1KMT2A
SCHEMBL18291467 0.85 MEN1 (0.46) GPR119MEN1KMT2AMAPTCKS1B
Ammonia Solution, Strong SCHEMBL28415331 0.84 GPR119 (0.55) GPR119WNT3ASMN1; SMN2MEN1KMT2A
SCHEMBL26641577 0.84 MAPT (0.58) GPR119WNT3ASMN1; SMN2MEN1KMT2A
SCHEMBL29437363 0.84 GPR119 (0.55) GPR119WNT3ASMN1; SMN2MEN1KMT2A
SCHEMBL30316131 0.81 CKS1B (0.53) GPR119WNT3ASMN1; SMN2MEN1KMT2A
SCHEMBL1990159 0.81 CKS1B (0.53) GPR119WNT3ASMN1; SMN2MEN1KMT2A

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 GPR119 1867/4885WNT3A 1706/4885SMN1; SMN2 2217/4885
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof CDK4, CDK6, CCNI GPR119 1867/4885WNT3A 1706/4885SMN1; SMN2 2217/4885

“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.