SCHEMBL4816989

SCHEMBL4816989

CN(C)c1cccc2c1CCC21OCCO1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 3/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PDK2 Q15119 1/20 0.31
TSHR P16473 1/20 0.31
KDM1A O60341 1/20 0.30
NSD2 O96028 1/20 0.30
EGFR P00533 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4814969 0.75 PARP1 (0.34) MAPTKDM4EGAAALDH1A1KDM1A
SCHEMBL12162264 0.75 TXNRD1 (0.40)
SCHEMBL12162261 0.68 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL20777509 0.64 KDM4E (0.41) MAPTKDM4EGAAALDH1A1
SCHEMBL17019672 0.63 MAOA (0.31)
SCHEMBL14123634 0.62 KDM4E (0.33) MAPTKDM4EGAAKDM1A
SCHEMBL18047871 0.62
SCHEMBL21915743 0.62 NOTUM (0.35) TSHR
SCHEMBL17014254 0.60
SCHEMBL19870682 0.59

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 MAPT 2427/4885KDM4E 1449/4885GAA 1477/4885

“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.