SCHEMBL5099502

SCHEMBL5099502

c1ccc(NCCNc2nccc(-c3ccccc3-c3c[nH]cn3)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.44
CCNA2 P20248 5/20 0.44
CCNT1 O60563 4/20 0.44
CDK9 P50750 4/20 0.44
EIF2AK2 P19525 4/20 0.44
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNA1 P78396 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.38
MKNK2 Q9HBH9 3/20 0.37
CDC7 O00311 2/20 0.37
MAP4K4 O95819 2/20 0.37
PRKACA P17612 2/20 0.37
GSK3B P49841 2/20 0.37
HIPK2 Q9H2X6 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
PIM1 P11309 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
SCHEMBL4398202 0.81 MKNK1 (0.53) CDK2EIF2AK2CDK4MKNK2GSK3B
SCHEMBL7855837 0.77 CYP2D6 (0.36) CDK2CCNA2CDK1CCNB1CDK4
SCHEMBL5100516 0.77 VCP (0.47) CDK2CCNA2CCNT1CDK9CYP1A2
SCHEMBL5095181 0.74 MKNK1 (0.42) CDK2CCNA2CCNT1CDK9EIF2AK2
SCHEMBL5093415 0.74 PIK3CA (0.55) CDK2CCNA2CCNT1CDK9CDK1
SCHEMBL19322388 0.72 ALDH1A1 (0.67) CYP1A2CYP2C19CXCR4ALDH1A1FABP1
SCHEMBL5100245 0.72 ABL1 (0.58) PRKACA
SCHEMBL5099513 0.71 NISCH (0.42) CDK2CCNA2CCNT1CDK9EIF2AK2
SCHEMBL5100580 0.70 MEN1 (0.47) CYP1A2CYP2C19ROCK2
SCHEMBL5092325 0.70 CSNK2A1 (0.45) CDK2CCNA2CCNT1CDK9CDK1

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 11 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

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 CDK2 133/4885CCNA2 2364/4885CCNT1 1552/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CDK2 176/4885CCNA2 2505/4885CCNT1 1675/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CDK2 176/4885CCNA2 2505/4885CCNT1 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.