SCHEMBL5099424

SCHEMBL5099424

Cc1cnc(CNC(=O)c2ccc(-c3ccnc(NCCNc4ccc([N+](=O)[O-])cn4)n3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
DPP4 P27487 2/20 0.40
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MAPK8 P45983 1/20 0.38
KDM6B O15054 1/20 0.37
FTO Q9C0B1 1/20 0.37
EGLN1 Q9GZT9 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
SCHEMBL5095215 0.84 MAPT (0.47) MKNK1MKNK2CYP3A4HPGDTDP1
SCHEMBL5089546 0.84 LOXL2 (0.46) MKNK1MKNK2POLBDPP4ALDH1A1
SCHEMBL5091535 0.84 PIK3CA (0.48) MKNK1MKNK2POLBDPP4ALDH1A1
SCHEMBL5091390 0.84 PIK3CA (0.48) MKNK1MKNK2POLBALDH1A1RAB9A
SCHEMBL5094370 0.83 KMT2A (0.55) CYP3A4ALDH1A1RAB9ANPC1MAPT
SCHEMBL5092027 0.83 GSK3B (0.43) MKNK1MKNK2POLBDPP4ALDH1A1
SCHEMBL5093468 0.82 DYRK1A (0.46) MKNK1MKNK2POLBALDH1A1RAB9A
SCHEMBL5094557 0.82 MKNK1 (0.46) MKNK1MKNK2POLBDPP4ALDH1A1
SCHEMBL5091512 0.82 MKNK1 (0.42) MKNK1MKNK2CYP3A4POLBDPP4
SCHEMBL5094268 0.81 MAPT (0.50) ALDH1A1RAB9ANPC1MAPTLMNA

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 9 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
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

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 358/4885CYP3A4 1849/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885CYP3A4 1753/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MKNK1 142/4885MKNK2 345/4885CYP3A4 1753/4885

“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.