SCHEMBL4814969

SCHEMBL4814969

Nc1cccc2c1CCC21OCCO1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
KDM1A O60341 1/20 0.33
CD44 P16070 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12162264 0.79 TXNRD1 (0.40) PARP1
SCHEMBL4816989 0.75 MAPT (0.32) KDM1AKDM4EALDH1A1LMNAGAA
SCHEMBL24258213 0.73 CD44 (0.36) PARP1KDM1ACD44KDM4EMEN1
SCHEMBL30791259 0.72 CD44 (0.35) PARP1KDM1ACD44KDM4EMEN1
SCHEMBL23356013 0.72 CD44 (0.35) PARP1KDM1ACD44KDM4EMEN1
SCHEMBL9507986 0.72 ALDH1A1 (0.38) PARP1KDM1ACD44KDM4EMEN1
SCHEMBL12162261 0.71 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL21936668 0.70 CD44 (0.34) PARP1KDM1ACD44KDM4EMEN1
SCHEMBL24258173 0.67 KDM1A (0.35) PARP1KDM1ACD44KDM4EMEN1
SCHEMBL24258225 0.67 KDM1A (0.35) PARP1KDM1ACD44KDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PARP1 1111/4885KDM1A 1866/4885CD44 4832/4885

“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.