SCHEMBL5100489

SCHEMBL5100489

COc1cccc(CCNc2nccc(-c3ccc(C(=O)NCc4cccc(Br)c4)cc3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
ROCK2 O75116 7/20 0.55
ROCK1 Q13464 7/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C9 P11712 3/20 0.55
PRKACA P17612 2/20 0.55
PRKX P51817 2/20 0.55
PRKCQ Q04759 2/20 0.55
CLK4 Q9HAZ1 2/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
GRK5 P34947 1/20 0.49
MMP13 P45452 2/20 0.48
KDM1A O60341 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL5099872 0.86 POLB (0.50) LMNAHPGDROCK2ROCK1CYP3A4
SCHEMBL5089577 0.84 HDAC1 (0.44) LMNAHPGDROCK2ROCK1CYP3A4
SCHEMBL5091547 0.83 CAMKK2 (0.53) ROCK2CLK4GSK3BHDAC1HDAC2
SCHEMBL5099316 0.81 NAMPT (0.44) LMNAHDAC1HDAC2HDAC8HDAC6
SCHEMBL3816449 0.81 PIK3CG (0.61) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL3810618 0.79 ROCK2 (0.75) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL5094143 0.79 ROCK1 (0.50) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL5099313 0.79 NAMPT (0.46)
SCHEMBL14021151 0.79 PIK3CG (0.59) ROCK2ROCK1CYP3A4CYP2D6CYP2C9
SCHEMBL5093667 0.78 POLB (0.45) LMNAROCK2ROCK1KDM1AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB LMNA 946/4885HPGD 1619/4885ROCK2 714/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB LMNA 985/4885HPGD 1602/4885ROCK2 714/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB LMNA 985/4885HPGD 1602/4885ROCK2 714/4885

“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.