SCHEMBL4815901

SCHEMBL4815901

Cc1cc(CN2CCN(C)CC2)cc2c1CCC2=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MC4R P32245 1/20 0.41
PARP1 P09874 4/20 0.40
LMNA P02545 1/20 0.40
TNKS O95271 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38
CHKA P35790 3/20 0.38
HDAC6 Q9UBN7 1/20 0.37
CA2 P00918 1/20 0.36
NCF1 P14598 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
CHEK1 O14757 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36

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
SCHEMBL4814816 0.89 ALDH1A1 (0.44) MAPTKDM4EALDH1A1
SCHEMBL4807502 0.85 KDM4E (0.41) KDM4EALDH1A1PARP1
SCHEMBL4817507 0.84 MAPT (0.43) MAPTKDM4EPARP1TNKSSMN1; SMN2
SCHEMBL4817944 0.84 CHKA (0.46) MAPTKDM4EALDH1A1MC4RPARP1
SCHEMBL4815397 0.77 LMNA (0.49) ALDH1A1MC4RPARP1LMNAACHE
SCHEMBL4821094 0.74 CHKA (0.49) MC4RPARP1LMNAACHECHKA
SCHEMBL4820308 0.73 RXRA (0.36) MAPTKDM4EALDH1A1PARP1ACHE
SCHEMBL4814155 0.72 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2
SCHEMBL4816693 0.71 CYP11B1 (0.52) MAPTKDM4EPARP1
SCHEMBL4820201 0.71 CYP19A1 (0.41)

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 MAPT 2427/4885KDM4E 1449/4885ALDH1A1 3901/4885

“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.