SCHEMBL4817568

SCHEMBL4817568

O=C1CCc2cc(CN3CCN(c4ncccn4)CC3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 1/20 0.54
DRD3 P35462 5/20 0.54
DRD2 P14416 4/20 0.54
HTR1A P08908 2/20 0.54
USP2 O75604 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2D6 P10635 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
NFKB1 P19838 1/20 0.54
SLC6A2 P23975 1/20 0.54
MAPK1 P28482 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL4821094 0.80 CHKA (0.49) HSD17B10LMNA
SCHEMBL4820676 0.79 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL4818998 0.79 SMN1; SMN2 (0.58) KMT2AALDH1A1MAPK1KCNH2TSHR
SCHEMBL1876523 0.78 MEN1 (0.87) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL31279572 0.76 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL4808335 0.75 KDM4E (0.56) MEN1KMT2AKDM4EALDH1A1USP2
SCHEMBL31338230 0.75 IKZF2 (0.59)
SCHEMBL19135750 0.73 MEN1 (0.70) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL13956836 0.73 MEN1 (0.64) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL11816891 0.73 ALDH1A1 (0.65) MEN1KMT2AKDM4EALDH1A1HSD17B10

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 MEN1 3383/4885KMT2A 1384/4885KDM4E 1449/4885

“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.