SCHEMBL5091979

SCHEMBL5091979

Nc1nc2c(CCCNc3nccc(-c4ccc(O)cc4)n3)cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.39
JAK2 O60674 1/20 0.37
EIF2AK2 P19525 5/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PDPK1 O15530 1/20 0.35
BRAF P15056 4/20 0.35
MAPK14 Q16539 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
ULK1 O75385 1/20 0.34
CDK7 P50613 1/20 0.34
PRKCE Q02156 1/20 0.34
CAMK2G Q13555 1/20 0.34
DYRK1A Q13627 1/20 0.34
RPS6KA1 Q15418 1/20 0.34

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
SCHEMBL5092000 0.84 PLK1 (0.39) PLK1JAK2EIF2AK2PIM1PIM2
SCHEMBL7854769 0.77 JAK2 (0.36) PLK1JAK2PIM1PIM2BRAF
SCHEMBL5100147 0.76 POLB (0.48) EIF2AK2
SCHEMBL7104522 0.73 JAK2 (0.38) PLK1JAK2EIF2AK2PIM1PIM2
SCHEMBL5091272 0.71 JAK2 (0.41) JAK2EIF2AK2PIM1PIM2BRAF
SCHEMBL5101136 0.69 DRD4 (0.51) JAK2EIF2AK2PIM1PIM2DYRK1A
SCHEMBL7104529 0.69 EIF2AK2 (0.40) PLK1JAK2EIF2AK2BRAFMAPK14
SCHEMBL5091970 0.67 PIM1 (0.39) PLK1JAK2EIF2AK2PIM1PIM2
SCHEMBL1467909 0.66 PLK1 (0.65) PLK1JAK2CDK5CDK5R1CCNT1
SCHEMBL5093881 0.66 POLB (0.49) CAMKK2

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 12 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
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
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 PLK1 8/4885JAK2 598/4885EIF2AK2 1408/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PLK1 8/4885JAK2 597/4885EIF2AK2 1362/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PLK1 8/4885JAK2 597/4885EIF2AK2 1362/4885

“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.