SCHEMBL5100280

SCHEMBL5100280

NC(=O)c1ccc(-c2ccnc(NCc3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC3 O15379 3/20 0.53
NCOR1 O75376 2/20 0.53
VNN1 O95497 3/20 0.51
KDM1A O60341 1/20 0.51
MAPK8 P45983 2/20 0.50
MAPK10 P53779 1/20 0.50
CYP3A4 P08684 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MAOB P27338 1/20 0.48
GSK3B P49841 2/20 0.47
CAMKK2 Q96RR4 2/20 0.47
PIK3CG P48736 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
SCHEMBL5100707 0.90 CAMKK2 (0.49) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5093362 0.87 VNN1 (0.55) HDAC1HDAC6HDAC2HDAC3VNN1
SCHEMBL5091711 0.87 MAPK8 (0.55) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5100599 0.86 CAMKK2 (0.54) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5094681 0.86 MAPK8 (0.54) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5099819 0.85 HDAC1 (0.56) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5094134 0.84 CAMKK2 (0.54) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5089391 0.82 MAPK8 (0.46) HDAC8MAPK8MAPK10GSK3BCAMKK2
SCHEMBL5091615 0.82 HDAC1 (0.54) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5092092 0.82 CLK4 (0.69) HDAC1HDAC6HDAC2HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN disclosed
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
CN-1592743-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-03-09 CN disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP 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
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN 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 HDAC1 442/4885HDAC6 1526/4885HDAC2 1006/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB HDAC1 544/4885HDAC6 1552/4885HDAC2 1130/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB HDAC1 544/4885HDAC6 1552/4885HDAC2 1130/4885

“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.