SCHEMBL5089491

SCHEMBL5089491

Oc1ccc(-c2ccnc(NCCCc3nc4ccccc4[nH]3)n2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
HTT P42858 1/20 0.40
EIF2AK2 P19525 2/20 0.39
KDR P35968 1/20 0.38
PLK1 P53350 1/20 0.38
PTK2 Q05397 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL5099830 0.86 CHEK1 (0.47) BRAFPOLBKDM4ELMNAEIF2AK2
SCHEMBL5100147 0.86 POLB (0.48) POLBLMNAHTTEIF2AK2
SCHEMBL5095173 0.82 POLB (0.45) POLBHTTEIF2AK2
SCHEMBL5093881 0.80 POLB (0.49) POLBKDM4ELMNAHTT
SCHEMBL5089493 0.76 KDR (0.46) BRAFLMNAKDRPLK1PTK2
SCHEMBL5093392 0.74 PRKAG1 (0.43) BRAF
SCHEMBL5091272 0.72 JAK2 (0.41) BRAFHTTEIF2AK2
SCHEMBL1467908 0.70 DYRK1A (0.50) KDR
SCHEMBL5093940 0.69 CAMKK2 (0.46)
SCHEMBL7395745 0.67 NPC1 (0.56) POLBKDM4EKDR

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 BRAF 352/4885POLB 624/4885KDM4E 2320/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB BRAF 359/4885POLB 692/4885KDM4E 2567/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB BRAF 359/4885POLB 692/4885KDM4E 2567/4885

“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.