SCHEMBL4884582

SCHEMBL4884582

CCc1nc(CN2C(=O)c3ccccc3C2=O)n(CC)c1Sc1cc(Cl)cc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
PTK2B Q14289 1/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
MAPT P10636 2/20 0.34
RECQL P46063 2/20 0.34
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MDM2 Q00987 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL4905138 0.93 TSHR (0.39) TSHRPTK2BADRA1DADRA1AADRA1B
SCHEMBL4886717 0.92 LMNA (0.35) ADRA1DADRA1AADRA1BMAPTNPSR1
SCHEMBL4879837 0.81 KCNH2 (0.37) TSHRSMN1; SMN2KCNH2HTT
SCHEMBL4887120 0.81 KCNH2 (0.35) TSHRSMN1; SMN2KCNH2HTT
SCHEMBL4905512 0.80 NPSR1 (0.40) TSHRPTK2BADRA1DADRA1AADRA1B
SCHEMBL4882617 0.79 KCNH2 (0.34) KCNH2
SCHEMBL14108423 0.79 KCNH2 (0.34) KCNH2
SCHEMBL4884600 0.77 KDM4E (0.34) SMN1; SMN2ALDH1A1HTT
SCHEMBL4875978 0.77 KCNH2 (0.33) ADRA1DSMN1; SMN2ALDH1A1HPGDKCNH2
Cadaverine Tartrate SCHEMBL4875994 0.75

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-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 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 (1 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-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators POLRMT, POLR1G, POLR2A TSHR 1981/4885PTK2B 4772/4885ADRA1D 829/4885

“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.