SCHEMBL4820064

SCHEMBL4820064

COc1ccc(C(c2ccc(OC)cc2)n2nc(-c3ccsc3)c3c2-c2cc(CNC(=O)c4ccncc4)ccc2C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ROCK2 O75116 4/20 0.41
PRKACA P17612 2/20 0.41
PRKX P51817 2/20 0.41
PRKCQ Q04759 2/20 0.41
ROCK1 Q13464 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL4815788 0.92 MGAM (0.43) ROCK2HDAC1HDAC2HDAC8HDAC6
SCHEMBL4816463 0.88 PTGES (0.37) LMNAHDAC1HDAC2HDAC8HDAC6
SCHEMBL4816274 0.87 PTGES (0.37) LMNAHDAC1HDAC2HDAC8HDAC6
SCHEMBL4807491 0.87 LMNA (0.36) LMNAHDAC1HDAC2HDAC8HDAC6
SCHEMBL4817756 0.86 KDR (0.36) CYP3A4HDAC1HDAC2HDAC8HDAC6
SCHEMBL4812159 0.85 LMNA (0.43) LMNAALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL4812254 0.84 CHEK1 (0.35) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4810667 0.84 LMNA (0.42) LMNAHDAC1HDAC2HDAC8HDAC6
SCHEMBL4817027 0.84 KDR (0.38) ROCK2PRKACAPRKXCYP3A4GSK3B
SCHEMBL5929631 0.83 LMNA (0.42) LMNAALDH1A1SMN1; SMN2KMT2AKDM4E

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 LMNA 3952/4885ROCK2 470/4885PRKACA 2/4885

“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.