SCHEMBL4856783

SCHEMBL4856783

COC(=O)c1ccc(Cl)cc1Nc1ccc(CN2CCOCC2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.53
HCRTR2 O43614 1/20 0.53
MAPK1 P28482 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ABL1 P00519 1/20 0.44
F10 P00742 1/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL4857888 0.89 CHKA (0.46) SMN1; SMN2KDM4EALDH1A1MAPTGAA
SCHEMBL4852746 0.89 F10 (0.46) MAPK1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4850702 0.85 CYP2C19 (0.49) HCRTR1HCRTR2MAPK1SMN1; SMN2KDM4E
SCHEMBL13638974 0.83 SMN1; SMN2 (0.54) HCRTR1HCRTR2MAPK1SMN1; SMN2KDM4E
SCHEMBL4855385 0.82 ABL1 (0.56) KDM4EALDH1A1MAPTTSHRGAA
SCHEMBL4852723 0.79 ABL1 (0.52) KDM4EALDH1A1MAPTTSHRGAA
SCHEMBL2774659 0.79 ALDH1A1 (0.59) HCRTR1HCRTR2MAPK1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL2769406 0.78 ALDH1A1 (0.58) HCRTR1HCRTR2MAPK1SMN1; SMN2KDM4E
SCHEMBL4855150 0.77 ABL1 (0.50) SMN1; SMN2KDM4EALDH1A1MAPTTSHR
SCHEMBL4854740 0.76 ABL1 (0.60) MAPK1KDM4EALDH1A1MAPTGAA

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-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 HCRTR1 4847/4885HCRTR2 4792/4885MAPK1 72/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 HCRTR1 4859/4885HCRTR2 4747/4885MAPK1 221/4885

“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.