SCHEMBL4815489

SCHEMBL4815489

CN(C)Cc1ccc2c(c1)C(=O)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.49
IL4I1 Q96RQ9 1/20 0.44
HTR7 P34969 3/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
HRH3 Q9Y5N1 3/20 0.39
ACHE P22303 3/20 0.39
BRD4 O60885 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP1 P09874 3/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1E P28566 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL4813891 0.86 CASP1 (0.49) MAOAMAOBHRH3ALDH1A1TSHR
SCHEMBL4815212 0.83 PBRM1 (0.46) PBRM1IL4I1HTR7MAOAMAOB
SCHEMBL1512782 0.80 PBRM1 (0.53) PBRM1IL4I1MAOAMAOBHRH3
SCHEMBL26703825 0.80 PBRM1 (0.53) PBRM1IL4I1MAOAMAOBHRH3
SCHEMBL8688671 0.77 PBRM1 (0.50) PBRM1IL4I1MAOAMAOBHRH3
SCHEMBL4818350 0.77 PBRM1 (0.58) PBRM1IL4I1MAOAMAOBHRH3
SCHEMBL7605245 0.77 PBRM1 (0.53) PBRM1IL4I1MAOAMAOBHRH3
SCHEMBL31660699 0.77 PBRM1 (0.58) PBRM1IL4I1MAOAMAOBHRH3
SCHEMBL17539082 0.76 GPR119 (0.41) PBRM1IL4I1MAOAMAOBBRD4
SCHEMBL23397539 0.76 PBRM1 (0.49) PBRM1IL4I1MAOAMAOBHRH3

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 PBRM1 988/4885IL4I1 696/4885HTR7 1950/4885

“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.