SCHEMBL5089075

SCHEMBL5089075

c1ccc(-c2ccnc(NCCc3ccccn3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.53
CYP1A2 P05177 1/20 0.53
HIF1A Q16665 1/20 0.52
HRH3 Q9Y5N1 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
MKNK1 Q9BUB5 4/20 0.46
MKNK2 Q9HBH9 2/20 0.46
ACP1 P24666 1/20 0.46
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
AURKA O14965 1/20 0.46
GBA1 P04062 1/20 0.46
VCP P55072 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46

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
SCHEMBL4895691 0.88 ABL1 (0.56) OGACYP1A2HIF1ACCNT1CCNA2
SCHEMBL5091795 0.86 LMNA (0.48) OGACYP1A2HIF1AHRH3ACP1
SCHEMBL5089243 0.84 MAPK8 (0.56) OGACYP1A2HIF1AVCPPIK3CG
SCHEMBL5094288 0.81 RAB9A (0.54) LMNAALDH1A1NPC1RAB9A
SCHEMBL4899619 0.81 OGA (0.49) OGACYP1A2HIF1AHRH3CCNT1
SCHEMBL5100516 0.81 VCP (0.47) CYP1A2CCNT1CCNA2CDK2CDK9
SCHEMBL29236612 0.81 CYP1A2 (0.70) OGACYP1A2HRH3LMNATAAR1
SCHEMBL14591595 0.81 OGA (0.47) OGACYP1A2HIF1AHRH3CCNT1
SCHEMBL4906818 0.80 KDM4E (0.52) OGACYP1A2HRH3CCNT1CCNA2
SCHEMBL4903027 0.79 OGA (0.47) OGACYP1A2HIF1AHRH3CCNT1

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 OGA 1057/4885CYP1A2 2168/4885HIF1A 2131/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB OGA 1060/4885CYP1A2 2056/4885HIF1A 2097/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB OGA 1060/4885CYP1A2 2056/4885HIF1A 2097/4885

“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.