SCHEMBL21747533

SCHEMBL21747533

N#CC1(CNC(=O)O)CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
KCNH2 Q12809 3/20 0.33
P2RX7 Q99572 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
CTSC P53634 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
MAPT P10636 1/20 0.30
AOC2 O75106 1/20 0.30
MAOA P21397 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
SCHEMBL25317589 0.87 KDM1A (0.37) KCNH2P2RX7
SCHEMBL15461388 0.84 MAPT (0.35) DPP4KCNH2P2RX7LMNATP53
SCHEMBL16037814 0.77 HCRTR2 (0.42) GAAALDH1A1TSHRMAOA
SCHEMBL25468661 0.73
SCHEMBL16444624 0.72 SYK (0.33) P2RX7TP53GAACTSCALDH1A1
SCHEMBL23189791 0.71 KDM1A (0.31)
SCHEMBL23189901 0.71 RORC (0.41) KCNH2
SCHEMBL13268545 0.70 CNR2 (0.34) DPP4P2RX7LMNATP53GAA
SCHEMBL17501454 0.70 AOC2 (0.32) AOC2MAOA
SCHEMBL1565996 0.70 DPP4 (0.37) DPP4LMNAAOC2MAOA

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-3613737-B1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2021-12-29 EP disclosed
US-10952999-B2 Inhibitor of cyclin-dependent kinase CDK9 GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2021-03-23 US disclosed
US-20200078343-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 Shanghai Jiongshuo Pharmaceutical Technology Co., Ltd. (CN) 2020-03-12 US disclosed
EP-3613737-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 Genfleet Therapeutics (Shanghai) Inc. (CN) 2020-02-26 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-10952999-B2 Inhibitor of cyclin-dependent kinase CDK9 CDK9, CDK19, CDK1 DPP4 2987/4885KCNH2 3700/4885P2RX7 4003/4885
US-20200078343-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 CDK9, CDK19, CDKL1 DPP4 3355/4885KCNH2 4139/4885P2RX7 4181/4885

“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.