SCHEMBL4820190

SCHEMBL4820190

O=C1CCc2ccc(CN3CCSCC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PBRM1 Q86U86 1/20 0.42

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
SCHEMBL4811484 0.87 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2TSHRHRH3
SCHEMBL4814489 0.86 HRH3 (0.56) KDM4EALDH1A1POLBSMN1; SMN2HRH3
SCHEMBL4815397 0.84 LMNA (0.49) ALDH1A1HRH3PBRM1
SCHEMBL4814854 0.82 CRBN (0.50) MEN1KMT2AHRH3PBRM1
SCHEMBL4894879 0.82 ALDH1A1 (0.49) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL4814699 0.80 HRH3 (0.47) HRH3PBRM1
SCHEMBL4807925 0.79 KDM4E (0.48) KDM4EALDH1A1HRH3PBRM1
SCHEMBL4818654 0.79 HRH3 (0.40) KDM4EALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL4817811 0.77 HRH3 (0.44) KDM4EALDH1A1HRH3PBRM1
SCHEMBL4818862 0.77 HRH3 (0.44) ALDH1A1POLBKMT2ATSHRHRH3

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 5 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
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO 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 KDM4E 1449/4885ALDH1A1 3901/4885POLB 2470/4885

“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.