SCHEMBL20740435

SCHEMBL20740435

COC(=O)C1(Br)CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP3A4 P08684 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HDAC1 Q13547 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 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
SCHEMBL1604408 1.00 NPSR1 (0.48) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL1606853 0.98 NPSR1 (0.50) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL691739 0.93
SCHEMBL9008361 0.87
SCHEMBL758201 0.78 NPSR1 (0.50) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL7420059 0.78 NPSR1 (0.50) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL24780851 0.77 CYP3A4 (0.41) NPSR1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL20335470 0.77 NPSR1 (0.36) NPSR1CYP4F2CYP4A11LMNA
SCHEMBL374351 0.75 NPSR1 (0.52) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL594374 0.75 NPSR1 (0.52) NPSR1MAPTCYP4F2CYP4A11CYP3A4

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 NPSR1 4510/4885MAPT 2593/4885CYP4F2 1497/4885
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof CDK4, CDK6, CCNI NPSR1 4510/4885MAPT 2593/4885CYP4F2 1497/4885

“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.