SCHEMBL21245554

SCHEMBL21245554

CN1C(=O)COc2c(F)cc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
HTR1A P08908 3/20 0.38
HTR1D P28221 3/20 0.38
HTR1B P28222 3/20 0.38
TERT O14746 2/20 0.36
SLC6A4 P31645 3/20 0.34
KCNH2 Q12809 3/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
HTR3A P46098 1/20 0.34
PDE4D Q08499 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CASP2 P42575 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL21245881 0.82 HTT (0.38) TERT
SCHEMBL20719357 0.82 CCNT1 (0.35) HTR1AHTR1DHTR1BTERTSLC6A4
SCHEMBL21245891 0.81 CDK4 (0.40) HTR1AHTR1DHTR1BTERTSLC6A4
SCHEMBL29660543 0.81 CDK4 (0.40) HTR1AHTR1DHTR1BTERTSLC6A4
SCHEMBL13268803 0.79 PDE3B (0.41) PDE3BPDE3ATERTSLC6A4KCNH2
SCHEMBL21245650 0.79 SLC5A2 (0.33) HTR1AHTR1DHTR1BTERTSLC6A4
SCHEMBL4097889 0.77 CHRM1 (0.35) KCNH2HTR2A
SCHEMBL21245772 0.76 PIK3CD (0.34) TERT
SCHEMBL21245720 0.76 TERT (0.33) TERT
SCHEMBL29209037 0.75 PDE3B (0.35) PDE3BPDE3ATERTTDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 US 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 (3 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 PDE3B 2497/4885PDE3A 2980/4885HTR1A 4110/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 PDE3B 3342/4885PDE3A 3533/4885HTR1A 3715/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 PDE3B 3342/4885PDE3A 3533/4885HTR1A 3715/4885

“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.