SCHEMBL4816716

SCHEMBL4816716

C#CCCC(=O)NCCOC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CNR1 P21554 1/20 0.44
HPGD P15428 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
CYP2C19 P33261 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL11273 0.89 TSHR (0.58) TSHRCNR1HPGDSMN1; SMN2HTT
SCHEMBL23299716 0.86 TSHR (0.59) TSHRHPGDSMN1; SMN2HTTALDH1A1
SCHEMBL23478140 0.82 TSHR (0.65) TSHRCNR1HPGDSMN1; SMN2HTT
SCHEMBL19726992 0.81 L3MBTL1 (0.41) TSHRCNR1L3MBTL1KMT2AMEN1
SCHEMBL17253450 0.80 TSHR (0.51) TSHRCNR1HPGDSMN1; SMN2HTT
SCHEMBL19727004 0.80 L3MBTL1 (0.40) TSHRCNR1L3MBTL1KMT2AMEN1
SCHEMBL19727002 0.80 TSHR (0.35) TSHRALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL10124136 0.79 MCL1 (0.48) CNR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL19821398 0.77 CA2 (0.37) TSHRSMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL19727009 0.77 CA2 (0.34) TSHRSMN1; SMN2ALDH1A1L3MBTL1KMT2A

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 TSHR 3172/4885CNR1 2896/4885HPGD 2092/4885

“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.