SCHEMBL5091305

SCHEMBL5091305

CCOC(=O)c1cnc(NCCNc2ccc(N)cn2)nc1-c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 8/20 0.41
TDP1 Q9NUW8 5/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
HPGD P15428 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 3/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL5092422 0.93 GSK3B (0.45) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL5093431 0.89 ALDH1A1 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL5091488 0.89 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL5098981 0.88 ALDH1A1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL5093718 0.87 POLB (0.43) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL7022652 0.87 ZAP70 (0.39) CCNB2CDK1CCNB1RPS6KB1CDK2
SCHEMBL5091761 0.86 EGLN1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL5091748 0.86 MAPK8 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL5095112 0.85 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL5089074 0.85 KDM4E (0.46) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1

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 13 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
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP 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 ALDH1A1 3522/4885LMNA 946/4885MAPT 134/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885LMNA 985/4885MAPT 146/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885LMNA 985/4885MAPT 146/4885

“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.