SCHEMBL4807502

SCHEMBL4807502

Cc1cc(CN2CCN(C(C)C)CC2)cc2c1CCC2=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH3 Q9Y5N1 13/20 0.39
PARP1 P09874 1/20 0.38
MAOB P27338 4/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL4815901 0.85 MAPT (0.42) KDM4EALDH1A1PARP1
SCHEMBL4814816 0.85 ALDH1A1 (0.44) KDM4EALDH1A1TDP1
SCHEMBL4817507 0.81 MAPT (0.43) KDM4EHRH3PARP1
SCHEMBL4807925 0.77 KDM4E (0.48) KDM4EALDH1A1TDP1HRH3PARP1
SCHEMBL23008455 0.74 KDM4E (0.54) KDM4EALDH1A1TDP1HRH3
SCHEMBL4817944 0.73 CHKA (0.46) KDM4EALDH1A1PARP1
SCHEMBL4820308 0.70 RXRA (0.36) KDM4EALDH1A1PARP1MAOB
SCHEMBL20148587 0.69 KDM4E (0.47) KDM4EALDH1A1TDP1HRH3PARP1
SCHEMBL4816693 0.68 CYP11B1 (0.52) KDM4EPARP1
SCHEMBL4820201 0.68 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 3 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
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US 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 3901/4885TDP1 934/4885

“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.