SCHEMBL5095181

SCHEMBL5095181

c1ccc(-c2ccnc(NCCCn3cnc4ccccc43)n2)c(-c2c[nH]cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.42
MKNK2 Q9HBH9 7/20 0.42
CCNT1 O60563 3/20 0.42
CDK9 P50750 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
CDK4 P11802 1/20 0.40
GSK3B P49841 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
EIF2AK2 P19525 1/20 0.39
LCK P06239 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5100134 0.78 MKNK1 (0.46) MKNK1MKNK2TDP1SMN1; SMN2LMNA
SCHEMBL5095187 0.77 MKNK1 (0.41) MKNK1MKNK2TDP1SMN1; SMN2LMNA
SCHEMBL5093875 0.74 MAPK8 (0.48) MKNK1MKNK2GSK3BLCK
SCHEMBL5099502 0.74 CDK2 (0.44) MKNK1MKNK2CCNT1CDK9CDK4
SCHEMBL5089493 0.74 KDR (0.46) MKNK1MKNK2TDP1SMN1; SMN2LMNA
SCHEMBL5099835 0.72 JAK2 (0.47) MKNK1MKNK2CCNT1CDK9TDP1
SCHEMBL7028118 0.71 TDP1 (0.40) TDP1SMN1; SMN2LMNAALOX15TSHR
SCHEMBL4398202 0.67 MKNK1 (0.53) MKNK1MKNK2CDK4GSK3BSMN1; SMN2
SCHEMBL9814242 0.66 TDP1 (0.84) TDP1SMN1; SMN2LMNAALOX15TSHR
SCHEMBL30294105 0.66 TDP1 (0.84) TDP1SMN1; SMN2LMNAALOX15TSHR

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 MKNK1 150/4885MKNK2 358/4885CCNT1 1552/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885CCNT1 1675/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885CCNT1 1675/4885

“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.