SCHEMBL5089448

SCHEMBL5089448

O=C(NCc1cccc(Br)c1)c1ccc(-c2ccnc(NCCNc3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 3/20 0.55
ALOX5 P09917 1/20 0.52
PIK3CA P42336 4/20 0.49
PIK3CB P42338 4/20 0.49
PIK3CG P48736 4/20 0.49
FFAR1 O14842 1/20 0.45
PLK1 P53350 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
CDC7 O00311 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
EGFR P00533 2/20 0.41

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
SCHEMBL5092931 0.90 ALOX5 (0.50) MAPTALDH1A1ALOX5PIK3CAPIK3CB
SCHEMBL5099872 0.87 POLB (0.50) ALOX5LMNACYP3A4CYP2D6CYP2C9
SCHEMBL5099383 0.87 ALOX5 (0.49) MAPTALDH1A1ALOX5PIK3CAPIK3CB
SCHEMBL5095039 0.82 CDC7 (0.46) MAPTALDH1A1PIK3CAPIK3CBPIK3CG
SCHEMBL5095215 0.80 MAPT (0.47) MAPTALDH1A1FFAR1GAALMNA
SCHEMBL5100278 0.80 MKNK1 (0.45) MAPTALDH1A1ALOX5FFAR1LMNA
SCHEMBL5100051 0.80 MAPT (0.44) MAPTALDH1A1FFAR1MEN1KMT2A
SCHEMBL5093322 0.80 PRKAB2 (0.51) MEN1KMT2AGAALMNACYP3A4
SCHEMBL5091535 0.79 PIK3CA (0.48) MAPTALDH1A1PIK3CAPIK3CBPIK3CG
SCHEMBL5093667 0.79 POLB (0.45) ALOX5LMNACDC7CDK19POLB

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 7 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
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 MAPT 134/4885ALDH1A1 3522/4885ALOX5 3397/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885ALDH1A1 3532/4885ALOX5 3549/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MAPT 146/4885ALDH1A1 3532/4885ALOX5 3549/4885

“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.