SCHEMBL4813767

SCHEMBL4813767

O=C1CCc2ccc(Cn3ccnn3)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.47
IL4I1 Q96RQ9 1/20 0.41
PBRM1 Q86U86 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
HTR1A P08908 1/20 0.39
HRH3 Q9Y5N1 2/20 0.36
BRD4 O60885 1/20 0.35
CCR1 P32246 2/20 0.34
CCR2 P41597 2/20 0.34
KDR P35968 1/20 0.34
MET P08581 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CCR4 P51679 1/20 0.33

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
SCHEMBL4816833 0.89 CYP19A1 (0.47) CYP19A1IDO1TDO2HTR1AHRH3
SCHEMBL4811626 0.82 HTT (0.47) IL4I1PBRM1BRD4
SCHEMBL4817612 0.78 PBRM1 (0.45) CYP19A1IL4I1PBRM1HRH3BRD4
SCHEMBL4819893 0.76 CYP17A1 (0.56) CYP19A1
SCHEMBL4811817 0.76 CYP19A1 (0.50) CYP19A1PBRM1
SCHEMBL4820188 0.74 LMNA (0.47) PBRM1HTR1AHRH3BRD4MAOA
SCHEMBL4820497 0.74 NR1I2 (0.41) IL4I1PBRM1BRD4MAOAMAOB
SCHEMBL13201552 0.74 CYP19A1 (0.80) CYP19A1IDO1TDO2HTR1ACCR1
SCHEMBL7605245 0.73 PBRM1 (0.53) IL4I1PBRM1IDO1HRH3BRD4
SCHEMBL4814489 0.73 HRH3 (0.56) PBRM1HRH3

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 CYP19A1 2367/4885IL4I1 696/4885PBRM1 988/4885

“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.